![C30H29FN2O7 Uridín, 5′-O-[bis(4-methocsaifeinil)feanilmheitil]-2′-déocsa-2′- fluara- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H29FN2O7 Uridín, 5′-O-[bis(4-methocsaifeinil)feanilmheitil]-2′-déocsa-2′- fluara- (9CI, ACI) Íomhá faoi Thrácht](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine.jpg)
C30H29FN2O7 Uridín, 5′-O-[bis(4-methocsaifeinil)feanilmheitil]-2′-déocsa-2′- fluara- (9CI, ACI)
| Príomh-Airíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 548.56 | - |
| Leáphointe (Turgnamhach) | 118-120 °C | - |
| Dlús (Tuartha) | 1.38±0.1 g/cm3 | Teocht: 20 °C; Brúigh: 760 Torr |
| pKa (Tuartha) | 9.39±0.10 | Teocht is Airde: 25 °C |
Canonical SMILES O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C= C5)C(O)C2F
SMILES isiméireacha C(OC[C@H]1O[C@H]([C@H)(F)(C@@H]1O)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/C30H29FN2O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38- 2) 15-11-21)39-18-24-27(35)26(31)28(40-24)33
-17-16-25(34)32-29(33)36/h3-17,24,26-28,35H,18H2,1-2H3,(H,32,34,36)/t24-,26- ,27-,28-/m1/s1
Eochair InChI
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Ainm Eile don tSubstaint seo
5′-O-[Bis(4-methocsaifeinil)feanilmheitil]-2′-déocsa-2′-fluarairidin (ACI)
Airíonna ar fáil
Teirmeach
Teirmeach
| Maoin | Luach | Coinníoll | Foinse |
| Leáphointe | 118-120 °C | (1) CAS | |
(1) Penjarla, Srishylam; Núicléasídí, Núicléatídí & Aigéid Núicléacha, (2018), 37(4), 232-247, CAplus
Spectra ar fáil
1H NMR
13C NMR
| Airíonna ar fáil |
| Bitheolaíoch |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 3580 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 3580 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 3580 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 3580 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 3580 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 3580 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 3570 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 3430 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 2500 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 689 | 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)
Ceimiceach
| Maoin | Luach | Coinníoll | Foinse |
| Koc | 12200 | pH 1; Teocht: 25 °C | (1) ACD |
| Koc | 12200 | pH 2; Teocht: 25 °C | (1) ACD |
| Koc | 12200 | pH 3; Teocht: 25 °C | (1) ACD |
| Koc | 12200 | pH 4; Teocht: 25 °C | (1) ACD |
| Koc | 12200 | pH 5; Teocht: 25 °C | (1) ACD |
| Koc | 12200 | pH 6; Teocht: 25 °C | (1) ACD |
| Koc | 12100 | pH 7; Teocht: 25 °C | (1) ACD |
| Koc | 11700 | pH 8; Teocht: 25 °C | (1) ACD |
| Koc | 8480 | pH 9; Teocht: 25 °C | (1) ACD |
| Koc | 2340 | pH 10; Teocht: 25 °C | (1) ACD |
| logD | 4. 98 | pH 1; Teocht: 25 °C | (1) ACD |
| logD | 4. 98 | pH 2; Teocht: 25 °C | (1) ACD |
| logD | 4. 98 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | 4. 98 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | 4. 98 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | 4. 98 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | 4. 98 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | 4. 96 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | 4.82 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | 4.26 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | 4.979±0.563 | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Aifrinn | 9.9 x 10-5 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 9.9 x 10-5 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 9.9 x 10-5 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 9.9 x 10-5 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 9.9 x 10-5 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 9.9 x 10-5 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 9.9 x 10-5 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 9.9 x 10-5 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 9.9 x 10-5 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.4 x 10-4 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.0 x 10-4 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Tuaslagthacht Aifreann | 9.9 x 10-5 g/L | Uisce Neamh-mhaolaithe pH 7.00; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 1.8 x 10-7 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.8 x 10-7 mol/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.8 x 10-7 mol/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.8 x 10-7 mol/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.8 x 10-7 mol/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.8 x 10-7 mol/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.8 x 10-7 mol/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.8 x 10-7 mol/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.8 x 10-7 mol/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.5 x 10-7 mol/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 9.2 x 10-7 mol/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.8 x 10-7 mol/L | Uisce Neamh-mhaolaithe pH 7.00; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 548.56 | ||
| pKa | 9.39±0.10 | Teocht is Airde: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dlús
| Maoin | Luach | Coinníoll | Foinse |
| Dlús | 1.38±0.1 g/cm3 | Teocht: 20 °C; Brúigh: 760 Torr | (1) ACD |
| Toirt Molar | 395.8±5.0 cm3/mól | Teocht: 20 °C; Brúigh: 760 Torr | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Maoin | Luach | Coinníoll | Foinse |
| Bannaí Rothlach Saor in Aisce | 10 | (1) ACD | |
| H Glacadóirí | 9 | (1) ACD | |
| H Deontóirí | 2 | (1) ACD | |
| H Suim Deontóra/Ghlacadóir | 11 | (1) ACD | |
| logP | 4.979±0.563 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 548.56 |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struchtúr Gaolmhar
| Maoin | Luach | Coinníoll | Foinse |
| Achar Dromchla Polar | 107 A2 | (1) ACD | |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ar fáil
1H NMR
13C NMR
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