![C39H37N5O7 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl) phenylmethyl]-2′- O-methyl- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C39H37N5O7 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl) phenylmethyl]-2′- O-methyl- (9CI, ACI) Foto egosipụtara](https://cdn.globalso.com/nvchem/Substance-Detail.jpg)
C39H37N5O7 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl) phenylmethyl]-2′- O-methyl- (9CI, ACI)
| Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
| Ibu molekụla | 687.74 | - |
| Njupụta (buru amụma) | 1.32±0.1 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr |
| pKa (buru amụma) | 7.87± 0.43 | Okpomọkụ kachasị acidic: 25 Celsius |
Canonical SMILES O = C (NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3OC
Isomeric SMILES
C (OC [C@H] 1O[C@H]
InChi
InChi=1S/C39H37N5O7/c1-47-29-18-14-27(15-19-29)39(26-12-8-5-9) -13-26,28-16-20-30(48-2)21-17-28)50-22-31-33(45)34(49-3)38(51-) 31)44-24-42-32-35(40-23-41-36(32)44)43-37(46)25-10-6-4-7-11-25/ h4-21,23-24,31,33-34,38,45H,22H2,1-3H3,(H,40,41,43,46)/t31-,33-,
34-,38-/m1/s1
Igodo InChi
SARHDAQOZNKZCC-CJEGOSRCSA-N
1 Aha ọzọ maka ihe a
N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyladenosine (ACI)
Spectra dị
1H NMR
13C NMR
Mass
Ngwongwo dị
Usoro ndu
Chemical
Njupụta
Lipinski
Ọdịdị metụtara
Usoro ndu
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 47800 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.63 x 105 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 2.16 x 105 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 2,23 x 105 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 2,23 x 105 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 2,18 x 105 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1,79 x 105 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 64900 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 10600 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 3110 | 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 | 50200 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.71 x 105 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 2,26 x 105 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 2,34 x 105 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 2,34 x 105 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 2,29 x 105 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1,88 x 105 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Koc | 68000 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 11200 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 3260 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.67 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 7.21 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 7.33 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 7.34 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 7.34 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 7.33 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 7.25 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.80 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.02 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 5.49 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logP | 7.344± 0.723 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ọkachamara Solubility dị n'ime | 2.7 x 10-6 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.2 x 10-5 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.7 x 10-6 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 2.8 x 10-6 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 2.8 x 10-6 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 2.8 x 10-6 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 2.8 x 10-6 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.4 x 10-6 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 9.6 x 10-6 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.7 x 10-5 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.9 x 10-4 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.4 x 10-6 g/L | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility dị n'ime Molar | 3.9 x 10-9 mol/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.8 x 10-8 mol / l | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 5.4 x 10-9 mol/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 4.1 x 10-9 mol/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 4.0 x 10-9 mol/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 4.0 x 10-9 mol/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Solubility Molar | 4.0 x 10-9 mol/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 4.9 x 10-9 mol/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.4 x 10-8 mol / l | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 8.3 x 10-8 mol/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.8 x 10-7 mol/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 4.9 x 10-9 mol/L | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 687.74 | ||
| pKa | 7.87± 0.43 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
| pKa | 1.39± 0.10 | Okpomọkụ kachasị mma: 25 Celsius | (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 | 1.32±0.1 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
| Olu Molar | 518.5± 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 | 12 | (1) ACD | |
| H Ndị nnabata | 12 | (1) ACD | |
| H Ndị na-enye onyinye | 2 | (1) ACD | |
| H Donor/Anabata Nchikota | 14 | (1) ACD | |
| logP | 7.344± 0.723 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 687.74 |
(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 | 139 A2 | (1) ACD | |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra dị
1H NMR
Spectra dị
13C NMR
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