![C47H51FN7O7P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′ – deoxy-2′ -fluoro-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphor amiite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C47H51FN7O7P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′ – deoxy-2′ -fluoro-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphor amidite] (ACI) Foto egosipụtara](https://www.csnvchem.com/uploads/C47H51FN7O7P-Adenosine.png)
C47H51FN7O7P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′ – deoxy-2′ -fluoro-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphor amiite] (ACI)
Nọmba ndekọ CAS
136834-22-5
| Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
| Ibu molekụla | 875.92 | - |
| pKa (buru amụma) | 7.87± 0.43 | Okpomọkụ kachasị acidic: 25 Celsius |
Ọchịchị Canonical
N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=NC=6C (= NC= NC65)NC(=O)C=7C=CC=CC7) N(C(C)C)C(C)C
Isomeric SMILES
C(OC[C@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](F)[C@@ H](O1)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)(C5=CC=C) (OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
InChi
InChi= 1S/C47H51FN7O7P/c1-31(2)55(32(3)4)63(60-27-13-26-49)62-42-39(61-46(40(42)48)54-30- 52-41-43 (50-29-51-44(41)54)53-45(56) )33-14-9-7-10-15-33)28-59-47(34-16-11-8-12-17-34,35-18-22-37(57) -5)23-19-35)36-20-24-38(58-6)25-21-36/h7-12,14-25,29-32,39-40,4 2,46H,13,27-28H2,1-6H3,(H,50,51,53,56)/t39-,40-,42-,46-,63?/m1/s1
Igodo InChi
VCCMVPDSLHFCBB-MSIRFHFKSA-N
1 Aha ọzọ maka ihe a
Adenosine,Nbenzoyl-5′O- [bis (4-methoxyphenyl) phenylmethyl] -2 '-deoxy-2' -fluoro-, 3' - [2-cyanoethyl bis (1-methylethyl) phosphor amidite] (9CI)
Ngwongwo dị
Usoro ndu
Chemical
Lipinski
Ọdịdị metụtara
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 6590 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1,76 x 105 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.00 x 106 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 3,43 x 105 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 99100 | 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)
| Isi mmalite Ọnọdụ Uru Ala |
| Koc 2590 pH 1; Okpomọkụ: 25 Celsius C (1) ACD |
| Koc 69100 pH 2; Okpomọkụ: 25 Celsius C (1) ACD |
| Koc 6.96 x 105 pH 3; Okpomọkụ: 25 Celsius C (1) ACD |
| Koc 2.16 x 106 pH 4; Okpomọkụ: 25 Celsius C (1) ACD |
| Koc 2.70 x 106 pH 5; Okpomọkụ: 25 Celsius C (1) ACD |
| Koc 2.71 x 106 pH 6; Okpomọkụ: 25 Celsius C (1) ACD |
| Koc 2.23 x 106 pH 7; Okpomọkụ: 25 Celsius C (1) ACD |
| Koc 8.20 x 105 pH 8; Okpomọkụ: 25 Celsius C (1) ACD |
| Koc 1.35 x 105 pH 9; Okpomọkụ: 25 Celsius C (1) ACD |
| Koc 39000 pH 10; Okpomọkụ: 25 Celsius C (1) ACD |
| logD 6.29 pH 1; Okpomọkụ: 25 Celsius C (1) ACD |
| logD 7.71 pH 2; Okpomọkụ: 25 Celsius C (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| logD | 8.71 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 9.20 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 9.30 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 9.30 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 9.22 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 8.79 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 8.00 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 7.46 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logP | 9.317± 0.714 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ọkachamara Solubility dị n'ime | 3.4 x 10-6 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.6 x 10-3 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.3 x 10-4 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.3 x 10-5 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.3 x 10-6 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.4 x 10-6 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 3.4 x 10-6 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.1 x 10-6 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 1.1 x 10-5 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 6.9 x 10-5 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 2.5 x 10-4 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.1 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 | 4.1 x 10-6 mol/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.5 x 10-7 mol / l | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.5 x 10-8 mol / l | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 4.9 x 10-9 mol/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 3.9 x 10-9 mol/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 3.9 x 10-9 mol/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 4.7 x 10-9 mol/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.3 x 10-8 mol / l | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 7.9 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 |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Solubility Molar | 4.7 x 10-9 mol/L | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 875.92 | ||
| pKa | 7.87± 0.43 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
| pKa | 3.45± 0.70 | Okpomọkụ kachasị mma: 25 Celsius | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Nkwekọrịta na-agbanwe agbanwe n'efu | 18 | (1) ACD | |
| H Ndị nnabata | 14 | (1) ACD | |
| H Ndị na-enye onyinye | 1 | (1) ACD | |
| H Donor/Anabata Nchikota | 15 | (1) ACD | |
| logP | 9.317± 0.714 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 875.92 |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ngwongwo | Uru | Isi mmalite ọnọdụ |
| Mpaghara elu elu | 169 A2 | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
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