![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-otu, 2-[[bis(4-methoxy phenyl) phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-otu, 2-[[bis(4-methoxy phenyl) phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI) Foto egosipụtara](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo.jpg)
C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-otu, 2-[[bis(4-methoxy phenyl) phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)
| Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
| Ibu molekụla | 528.55 | - |
| Ebe mgbaze (nnwale) | 129.5-130 Celsius C | - |
| Ebe a na-esi esi esi (buru amụma) | 688.2± 65.0 Celsius | Pịa: 760 Torr |
| Njupụta (buru amụma) | 1.35±0.1 g/cm3 | Okpomọkụ: 20 °C;Pịa: 760 Torr |
| pKa (buru amụma) | 12.51± 0.40 | Okpomọkụ kachasị acidic: 25 Celsius |
Canonical SILES O=C1N=C2OC3C(O)C(OC3N2C=C1)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
Isomeric SMILES C (OC[C@H] 1O[C @ @] 2 ([C @] ([C@H] 1O)(OC=3N2C=CC(=O)N3)[H])[H] )(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChi
InChi=1S/C30H28N2O7/c1-35-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(36- 2)15-11-21)37-18-24-26(34)27-28(38-24)32-17- 16-25(33)31-29(32)39-27/h3-17, 24,26-28,34H,18H2,1-2H3/t24-,26-,27+,28-/m1/s1
InChi Igodo
OEIRLWHCGAICDW-AOGFTHLWSA-N
2 Aha ndị ọzọ maka ihe a
(2R,3R,3aS,9aR)-2-[[Bis (4-methoxyphenyl) phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-6H-furo[2′,3′:4 ,5]oxazolo [3,2-a] pyrimidin-6-otu (ACI);6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-otu, 2-[[bis(4-methoxyphenyl) phenylmethoxy]methyl]-2,3,3a,9a -
tetrahydro-3-hydroxy-, [2R- (2α,3β,3aβ,9aβ)]- (ZCI)
| Ngwongwo dị |
| Thermal |
Thermal
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ebe Na-agbaze | 129.5-130 Celsius C | (1) CAS | |
(1) Szlenkier, Maurycy;Nucleosides, Nucleotides & Nucleic Acids, (2016), 35 (8), 410-425, CAplus
| Spectra dị |
| 1H NMR |
| 13C NMR |
| IR |
| Mass |
Njirimara amụma
| Ngwongwo dị |
| Usoro ndu |
| Chemical |
| Njupụta |
| Lipinski |
| Ọdịdị metụtara |
| Thermal |
Usoro ndu
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 1360 | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1360 | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1360 | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1360 | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1360 | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1360 | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1360 | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 1360 | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1360 | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1350 | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Koc | 6080 | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 6080 | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 6080 | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 6080 | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 6080 | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 6080 | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 6080 | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 6080 | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 6070 | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 6060 | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.42 | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.42 | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.42 | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.42 | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.42 | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.42 | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.42 | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.42 | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.42 | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.42 | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
| logP | 4.424± 0.618 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ọkachamara Solubility dị n'ime | 5.8 x 10-4 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.8 x 10-4 g/L | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.8 x 10-4 g/L | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.8 x 10-4 g/L | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.8 x 10-4 g/L | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.8 x 10-4 g/L | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Uka Solubility | 5.8 x 10-4 g/L | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.8 x 10-4 g/L | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.8 x 10-4 g/L | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.8 x 10-4 g/L | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.8 x 10-4 g/L | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.8 x 10-4 g/L | Mmiri na-enweghị atụ pH 7.00;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility dị n'ime Molar | 1.1 x 10-6 mol/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | Mmiri na-enweghị atụ pH 7.00;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 528.55 | ||
| pKa | 12.51± 0.40 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
| pKa | -4.70±0.60 | Okpomọkụ kachasị mma: 25 Celsius | (1) ACD |
| Uzuoku Nrụgide | 6.91 x 10-20 Torr | Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Njupụta
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Njupụta | 1.35±0.1 g/cm3 | Okpomọkụ: 20 °C;Pịa: 760 Torr | (1) ACD |
| Olu Molar | 389.8± 7.0 cm3 / mol | Okpomọkụ: 20 °C;Pịa: 760 Torr | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Nkwekọrịta na-agbanwe agbanwe n'efu | 9 | (1) ACD | |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| H Ndị nnabata | 9 | (1) ACD | |
| H Ndị na-enye onyinye | 1 | (1) ACD | |
| H Donor/Anabata Nchikota | 10 | (1) ACD | |
| logP | 4.424± 0.618 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 528.55 |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ọdịdị metụtara
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Mpaghara elu elu | 99.1 A2 | (1) ACD | |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thermal
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ebe esi nri | 688.2± 65.0 Celsius | Pịa: 760 Torr | (1) ACD |
| Enthalpy nke Vaporization | 105.96± 3.0 kJ/mol | Pịa: 760 Torr | (1) ACD |
| Ebe mgbari | 370.0± 34.3 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra dị
1H NMR
13C NMR
![C21H23N3O5 L-Ornithine, N5- (aminocarbonyl) -N2- [(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine-300x300.jpg)
![118 Re36H44N2O8Si Uridine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl]-2'-O-[(1,1-dimethylethyl) dimethylsilyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine-300x300.jpg)
![C42H52N5O9P Cytidine, N-acetyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O- methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite] ( ACI)](https://cdn.globalso.com/nvchem/C42H52N5O9P-Cytidine-300x300.png)
![C17H19N3O6 Thymidine, α-oxo- α -[(phenylmethyl) amino] - (ACI)](https://cdn.globalso.com/nvchem/C17H19N3O6-Thymidine-300x300.png)
![C41H51N5O8Si Guanosine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O-[(1,1-dimethylethyl) dimethylsilyl] -N- (2-methyl-1-oxopropyl) - (9CI, ACI). )](https://cdn.globalso.com/nvchem/C41H51N5O8Si-Guanosine-300x300.jpg)