![C31H30N2O7 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-,32S-R9S-R9a (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H30N2O7 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-,32S-R9S-R9a (9CI, ACI) Foto egosipụtara](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo.jpg)
C31H30N2O7 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-,32S-R9S-R9a (9CI, ACI)
| Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
| Ibu molekụla | 542.58 | - |
| Ebe a na-esi esi esi (buru amụma) | 692.9±65.0C | Pịa: 760 Torr |
| Njupụta (buru amụma) | 1.33±0.1 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr |
| pKa (buru amụma) | 12.51± 0.60 | Okpomọkụ kachasị acidic: 25 Celsius |
Canonical SILES O=C1N=C2OC3C(O)C(OC3N2C=C1C)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=C(C)C(=O)N3)[H])[H])(C4=CC=C
InChi
InChi=1S/C31H30N2O7/c1-19-17-33-29-27(40-30(33)32-28(19)35)26 (34)25 (39-29)18-38-31 (20-7-5-4-6-8-20,21-9-13-23 (36-2)14-10-21
)22-11-15-24(37-3)16-12-22/h4-17,25-27,29,34H,18H2,1-3H3/t25-,26-,27+,29-/m1/s1
Igodo InChi
BQEQCEZNLIKSSH-CITHKVLSSA-N
1 Aha ọzọ maka ihe a
(2R,3R,3aS,9aR)-2-[[Bis (4-methoxyphenyl) phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-7-methyl-6H-furo[2′,3′:4,5]oxazolo [3,2-a]-pyrimidin-6 (CI)
Spectra dị
1H NMR
13C NMR
Mass
| Ngwongwo dị |
| Usoro ndu |
| Chemical |
| Njupụta |
| Lipinski |
| Ọdịdị metụtara |
| Thermal |
Usoro ndu
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 2800 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 2800 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 2800 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 2800 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 2800 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 2800 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 2800 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 2800 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 2800 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 2790 | 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 | 10200 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 10200 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 10200 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 10200 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 10200 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Koc | 10200 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 10200 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 10200 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 10200 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 10200 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.84 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.84 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.84 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.84 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.84 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.84 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.84 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.84 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.84 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 4.84 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logP | 4.839± 0.618 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ọkachamara Solubility dị n'ime | 3.6 x 10-4 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.6 x 10-4 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.6 x 10-4 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.6 x 10-4 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.6 x 10-4 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.6 x 10-4 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.6 x 10-4 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.6 x 10-4 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.6 x 10-4 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.6 x 10-4 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.6 x 10-4 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.6 x 10-4 g/L | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility dị n'ime Molar | 6.6 x 10-7 mol/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 6.6 x 10-7 mol/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 6.6 x 10-7 mol/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 6.6 x 10-7 mol/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Solubility Molar | 6.6 x 10-7 mol/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 6.6 x 10-7 mol/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 6.6 x 10-7 mol/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 6.6 x 10-7 mol/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 6.6 x 10-7 mol/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 6.6 x 10-7 mol/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 6.7 x 10-7 mol/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 6.6 x 10-7 mol/L | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 542.58 | ||
| pKa | 12.51± 0.60 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
| pKa | -4.38±0.60 | Okpomọkụ kachasị mma: 25 Celsius | (1) ACD |
| Uzuoku Nrụgide | 3.73 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 | 1.33±0.1 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
| Olu Molar | 404.9± 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 | |
| H Ndị nnabata | 9 | (1) ACD | |
| H Ndị na-enye onyinye | 1 | (1) ACD | |
| H Donor/Anabata Nchikota | 10 | (1) ACD | |
| logP | 4.839± 0.618 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 542.58 |
(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 | 692.9±65.0C | Pịa: 760 Torr | (1) ACD |
| Enthalpy nke Vaporization | 106.61± 3.0 kJ/mol | Pịa: 760 Torr | (1) ACD |
| Ebe mgbari | 372.8±34.3 Celsius | (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
![C30H29FN2O7 Uridine, 5′-O-[bis (4-methoxyphenyl) phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine-300x300.jpg)
![C44H49N5O7Si Adenosine, N-benzoyl-5'-O-[bis(4-methoxyphenyl) phenylmethyl]-2′- O-[(1,1-dimethylethyl) dimethylsilyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine-300x300.jpg)
![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl) -N-[4- (hydroxymethyl) phenyl] - (9CI, ACI)](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide-300x300.jpg)
