![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)](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) Aworan ifihan](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 amidite] (ACI)
Nọmba iforukọsilẹ CAS
136834-22-5
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 875.92 | - |
| pKa (Asọtẹlẹ) | 7,87 ± 0,43 | Pupọ Epo otutu: 25 °C |
Ẹ̀RẸ̀ KẸ̀LẸ̀
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
InChi Key
VCCMVPDSLHFCBB-MSIRFHFKSA-N
1 Oruko miiran fun nkan yii
Adenosine,Nbenzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2 '-deoxy-2' -fluoro-, 3' - [2-cyanoethyl bis (1-methylethyl) phosphor amidite] (9CI)
Awọn ohun-ini ti o wa
Ti ibi
Kemikali
Lipinski
Ilana Jẹmọ
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 6590 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1,76 x 105 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.00 x 106 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.00 x 106 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.00 x 106 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.00 x 106 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.00 x 106 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1.00 x 106 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 3.43 x 105 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 99100 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini Iye Ipò Orisun |
| Koc 2590 pH 1; Iwọn otutu: 25 °C (1) ACD |
| Koc 69100 pH 2; Iwọn otutu: 25 °C (1) ACD |
| Koc 6,96 x 105 pH 3; Iwọn otutu: 25 °C (1) ACD |
| Koc 2.16 x 106 pH 4; Iwọn otutu: 25 °C (1) ACD |
| Koc 2,70 x 106 pH 5; Iwọn otutu: 25 °C (1) ACD |
| Koc 2,71 x 106 pH 6; Iwọn otutu: 25 °C (1) ACD |
| Koc 2.23 x 106 pH 7; Iwọn otutu: 25 °C (1) ACD |
| Koc 8.20 x 105 pH 8; Iwọn otutu: 25 °C (1) ACD |
| Koc 1.35 x 105 pH 9; Iwọn otutu: 25 °C (1) ACD |
| Koc 39000 pH 10; Iwọn otutu: 25 °C (1) ACD |
| logD 6.29 pH 1; Iwọn otutu: 25 °C (1) ACD |
| logD 7,71 pH 2; Iwọn otutu: 25 °C (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| logD | 8.71 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| logD | 9.20 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| logD | 9.30 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| logD | 9.30 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| logD | 9.22 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| logD | 8.79 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| logD | 8.00 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| logD | 7.46 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logP | 9.317 ± 0.714 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isoju Agbekale | 3.4 x 10-6 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.6 x 10-3 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,3 x 10-4 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,3 x 10-5 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4.3 x 10-6 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.4 x 10-6 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.4 x 10-6 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4.1 x 10-6 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,1 x 10-5 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 6,9 x 10-5 g/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 2,5 x 10-4 g/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4.1 x 10-6 g/L | Omi ti a ko fi silẹ pH 7.00; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 3.9 x 10-9 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 4.1 x 10-6 mol/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,5 x 10-7 mol/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,5 x 10-8 mol/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 4.9 x 10-9 mol/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 3.9 x 10-9 mol/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 3.9 x 10-9 mol/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 4.7 x 10-9 mol/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.3 x 10-8 mol/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 7.9 x 10-8 mol/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.8 x 10-7 mol/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Solubility Molar | 4.7 x 10-9 mol/L | Omi ti a ko fi silẹ pH 7.00; Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 875.92 | ||
| pKa | 7,87 ± 0,43 | Pupọ Epo otutu: 25 °C | (1) ACD |
| pKa | 3,45 ± 0,70 | Pupọ Ipilẹ otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini | Iye | Ipo | Orisun |
| Larọwọto Rotatable Bonds | 18 | (1) ACD | |
| H Awọn olugba | 14 | (1) ACD | |
| H Awọn oluranlọwọ | 1 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 15 | (1) ACD | |
| logP | 9.317 ± 0.714 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 875.92 |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini | Iye | Orisun ipo |
| Pola dada Area | 169 A2 | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
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