![C41H49FN5O8P Cytidine, N-acetyl-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)
![C41H49FN5O8P Cytidine, N-acetyl-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/C41H49FN5O8P-Cytidine.png)
C41H49FN5O8P Cytidine, N-acetyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-deoxy-2′-fluoro-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphor amiite] (ACI)
Nọmba ndekọ CAS
159414-99-0
| Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
| Ibu molekụla | 789.83 | - |
| pKa (buru amụma) | 10.11± 0.20 | 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=CC(= NC5=O)NC(=O)C)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(=O)N=C(NC(C)=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C (OC)C=C4 )C5=CC=CC=C5
InChi
InChi= 1S/C41H49FN5O8P/c1-27(2)47(28(3)4)56(53-25-11-23-43)55-38-35(54-39(37(38)42)46- 24-22-36 (44-29 (5)48)45-40 (46)49)26-52- 41 (30-12-9-8-10-13-30,31-14-18-33 50-6)19-15-31)32-16-20-34(51-7)21-17-32/h8-10,12-22,24,27-28,35,37-39H,11, 25-26H2,1-7H3,(H, 44,45,48,49)/t35-,37-,38-,39-,56?/m1/s1
Igodo InChi
CNFKJHKDSRXNFL-UTXREMQHSA-N
1 Aha ọzọ maka ihe a
Cytidine,N- acetyl-5′O- [bis (4-methoxyphenyl) phenylmethyl] -2 '-deoxy-2' -fluoro-, 3' - [2-cyanoethyl bis (1-methylethyl) phosphor amidite] (9CI)
Spectra dị
Mass
Ngwongwo dị
Usoro ndu
Chemical
Lipinski
Ọdịdị metụtara
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 8.60 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 90.3 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 3940 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 39100 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 64300 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 68100 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 68300 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 66800 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 54300 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 19200 | 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)
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Koc | 12.6 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 133 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 5790 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 57400 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 94500 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.00 x 105 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.00 x 105 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 98200 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 79700 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 28200 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| logD | 2.76 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 3.79 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 5.43 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.42 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.64 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.66 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.66 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.65 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.56 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 6.11 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logP | 6.666± 0.764 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ọkachamara Solubility dị n'ime | 4.5 x 10-5 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.36 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.035 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 7.90 x 10-4 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 7.9 x 10-5 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.8 x 10-5 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.6 x 10-5 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.6 x 10-5 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.7 x 10-5 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 | 1.6 x 10-4 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.6 x 10-5 g/L | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility dị n'ime Molar | 5.7 x 10-8 mol/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 4.6 x 10-4 mol/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 4.4 x 10-5 mol / l | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.00 x 10-6 mol / l | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.0 x 10-7 mol / l | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 6.1 x 10-8 mol/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 5.8 x 10-8 mol/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 5.8 x 10-8 mol/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 5.9 x 10-8 mol/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Solubility Molar | 7.2 x 10-8 mol/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.0 x 10-7 mol / l | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 5.8 x 10-8 mol/L | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 789.83 | ||
| pKa | 10.11± 0.20 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
| pKa | 3.57± 0.20 | 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 | Isi mmalite ọnọdụ |
| Mpaghara elu elu | 158 A2 | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
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