![C41H49FN5O8P Cítínín, N-aicéitil-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – déocsa-2′ -fluoro-, 3′ – [2-cianoethyl N,N-bis(1-meitileitile) fosfar amaidít] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C41H49FN5O8P Cítínín, N-aicéitil-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – déocsa-2′ -fluoro-, 3′ – [2-cianoethyl N,N-bis(1-meitileitile) fosfar amaidít] (ACI)
Uimhir Chláraithe CAS
159414-99-0
| Príomh-Airíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 789.83 | - |
| pKa (Tuartha) | 10.11±0.20 | Teocht is Airde: 25 °C |
SMILES 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
SMILES Isiméireacha
C(OC[C@@H]1[C@H](OP(N(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
Eochair InChI
CNFKJHKDSRXNFL-UTXREMQHSA-N
1 Ainm Eile don tSubstaint seo
Citídine,N-aicéitil-5′ -O- [bis(4-methocsaifeinil)feanilmeitil]-2′ -déocsa-2′ -fluara-, 3′ - [2-chianoethyl bis(1-meitileitil)fosfar amaidít] (9CI)
Spectra ar fáil
Aifreann
Airíonna ar fáil
Bitheolaíoch
Ceimiceach
Lipinski
Struchtúr Gaolmhar
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 8.60 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 90.3 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 3940 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 39100 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 64300 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 68100 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 68300 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 66800 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 54300 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 19200 | pH 10; Teocht: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Coinníoll | Foinse |
| Cóc | 12.6 | pH 1; Teocht: 25 °C | (1) ACD |
| Cóc | 133 | pH 2; Teocht: 25 °C | (1) ACD |
| Cóc | 5790 | pH 3; Teocht: 25 °C | (1) ACD |
| Cóc | 57400 | pH 4; Teocht: 25 °C | (1) ACD |
| Cóc | 94500 | pH 5; Teocht: 25 °C | (1) ACD |
| Cóc | 1.00 x 105 | pH 6; Teocht: 25 °C | (1) ACD |
| Cóc | 1.00 x 105 | pH 7; Teocht: 25 °C | (1) ACD |
| Cóc | 98200 | pH 8; Teocht: 25 °C | (1) ACD |
| Cóc | 79700 | pH 9; Teocht: 25 °C | (1) ACD |
| Cóc | 28200 | pH 10; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| logD | 2.76 | pH 1; Teocht: 25 °C | (1) ACD |
| logD | 3.79 | pH 2; Teocht: 25 °C | (1) ACD |
| logD | 5. 43 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | 6.42 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | 6.64 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | 6.66 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | 6.66 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | 6.65 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | 6.56 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | 6.11 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | 6.666±0.764 | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Aifrinn | 4.5 x 10-5 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.36 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.035 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 7.90 x 10-4 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 7.9 x 10-5 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.8 x 10-5 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.6 x 10-5 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.6 x 10-5 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.7 x 10-5 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.7 x 10-5 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.6 x 10-4 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.6 x 10-5 g/L | Uisce Neamh-mhaolaithe pH 7.00; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 5.7 x 10-8 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 4.6 x 10-4 mol/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 4.4 x 10-5 mol/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.00 x 10-6 mol/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.0 x 10-7 mol/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 6.1 x 10-8 mol/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 5.8 x 10-8 mol/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 5.8 x 10-8 mol/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 5.9 x 10-8 mol/L | pH 8; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Tuaslagthacht Molar | 7.2 x 10-8 mol/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.0 x 10-7 mol/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 5.8 x 10-8 mol/L | Uisce Neamh-mhaolaithe pH 7.00; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 789.83 | ||
| pKa | 10.11±0.20 | Teocht is Airde: 25 °C | (1) ACD |
| pKa | 3.57±0.20 | Teocht is Bunúsaí: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Foinse Coinníoll |
| Achar Dromchla Polar | 158 A2 | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
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