![C39H46FN4O8P Uridín, 5′ -O- [bis(4-methocsaifeinil)feanilmeitil]-2′ -déocsa-2′ – fluairó-, 3′ – [2-chianoethyl N,N-bis(1-meitileitil)fosfarimídít] (ACI )](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C39H46FN4O8P Uridín, 5′ -O- [bis(4-methocsaifeinil)feanilmeitil]-2′ -déocsa-2′ – fluairó-, 3′ – [2-chianoethyl N,N-bis(1-meitileitil)fosfarimídít] (ACI ) Íomhá Réadmhaoin](https://cdn.globalso.com/nvchem/C39H46FN4O8P-Uridine.png)
C39H46FN4O8P Uridín, 5′ -O- [bis(4-methocsaifeinil)feanilmeitil]-2′ -déocsa-2′ – fluairó-, 3′ – [2-chianoethyl N,N-bis(1-meitileitil)fosfarimídít] (ACI )
Uimhir Chláraithe CAS
146954-75-8
| Príomh-Airíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 748.78 | - |
| pKa (Tuartha) | 9.39±0.10 | 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(= O)NC5=O)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)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC =C5
InchI
InChI= 1S/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-24-10-22-41)52-36-33(51-37(35(36)40)43- 23-21-34(45)42-38(43)46)25-49-39(28-11-8-7-9-12-28,29-13-17-31(47-5)18- 14-29)30-15-19-32(48-6)20-16-30/h7-9,11-21,23,26-27,33,35-37H,10,24-25H2,1- 6H3,(H,42,45,46)/t3 3-,35-,36-,37-,53?/m1/s1
Eochair InChI
HQHQPAYRJJMYQX-DJTPZYMWSA-N
1 Ainm Eile don tSubstaint seo
Uidín, 5′ -O- [bis(4-methocsaifeinil)feanilmeitil]-2′ -déocsa-2′ -fluara-, 3′ - [2-chianoethyl bis(1-meitileitil)fosfaraimít] (9CI)
Airíonna ar fáil
Bitheolaíoch
Ceimiceach
Lipinski
Struchtúr Gaolmhar
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 457 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 3690 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 27700 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 82900 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.04×105 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.06×105 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.06×105 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.02 x 105 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 76200 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 22000 | 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)
| Foinse Coinníoll Luach Maoine |
| Koc 592 pH 1; Teocht: 25 °C (1) ACD |
| Koc 4790 pH 2; Teocht: 25 °C (1) ACD |
| Koc 36000 pH 3; Teocht: 25 °C (1) ACD |
| Koc 1.07 x 105 pH 4; Teocht: 25 °C (1) ACD |
| Koc 1.34 x 105 pH 5; Teocht: 25 °C (1) ACD |
| Koc 1.38 x 105 pH 6; Teocht: 25 °C (1) ACD |
| Koc 1.37 x 105 pH 7; Teocht: 25 °C (1) ACD |
| Koc 1.33 x 105 pH 8; Teocht: 25 °C (1) ACD |
| Koc 98800 pH 9; Teocht: 25 °C (1) ACD |
| Koc 28600 pH 10; Teocht: 25 °C (1) ACD |
| logD 4.55 pH 1; Teocht: 25 °C (1) ACD |
| logD 5.46 pH 2; Teocht: 25 °C (1) ACD |
| logD 6.33 pH 3; Teocht: 25 °C (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| logD | 6.81 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | 6. 91 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | 6.92 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | 6.92 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | 6. 90 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | 6.77 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | 6.23 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | 6.918±0.641 | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Aifrinn | 2.2 x 10-5 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.1 x 10-3 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 6.3 x 10-4 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 8.2 x 10-5 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 2.8 x 10-5 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 2.2 x 10-5 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 2.2 x 10-5 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 2.2 x 10-5 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 2.2 x 10-5 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 3.0 x 10-5 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.0 x 10-4 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 2.2 x 10-5 g/L | Uisce Neamh-mhaolaithe pH 7.00; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 2.9 x 10-8 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 6.8 x 10-6 mol/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 8.4 x 10-7 mol/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.1 x 10-7 mol/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 3.7 x 10-8 mol/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 3.0 x 10-8 mol/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.9 x 10-8 mol/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.9 x 10-8 mol/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 3.0 x 10-8 mol/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 4.0 x 10-8 mol/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.4 x 10-7 mol/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.9 x 10-8 mol/L | Uisce Neamh-mhaolaithe pH 7.00; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Meáchan Móilíneach | 748.78 | ||
| pKa | 9.39±0.10 | Teocht is Airde: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | 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 | Coinníoll | Foinse |
| Bannaí Rothlach Saor in Aisce | 17 | (1) ACD | |
| H Glacadóirí | 12 | (1) ACD | |
| H Deontóirí | 1 | (1) ACD | |
| H Suim Deontóra/Ghlacadóir | 13 | (1) ACD | |
| logP | 6.918±0.641 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 748.78 |
(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 | 145 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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