![C41H49FN5O8P Cítidín, N-aicéitil-5′-O-[bis(4-meatocsaifeinil)feinilmeitil]-2′ – dí-ocsai-2′-fluar-, 3′ – [2-cianóeitile N,N-bis(1-meitileitile)fosfaraimídít] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C41H49FN5O8P Cítidín, N-aicéitil-5′-O-[bis(4-meatocsaifeinil)feinilmeitil]-2′ – dí-ocsai-2′-fluar-, 3′ – [2-cianóeitile N,N-bis(1-meitileitile)fosfaraimídít] (ACI)
Uimhir Chlárúcháin CAS
159414-99-0
| Príomhairíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 789.83 | - |
| pKa (Tuartha) | 10.11±0.20 | Teocht is Aigéadaí: 25 °C |
GÁIRÍ CHANÓNACHA
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
Gáirí Isiméireacha
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) 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/u8-10,12-22,24,27-28,35,37-39U,11,25-26U2,1-7U3,(U, 44,45,48,49)/t35-,37-,38-,39-,56?/m1/s1
Eochair InChI
CNFKJHKDSRXNFL-UTXREMQHSA-N
1 Ainm Eile don tSubstaint seo
Cítidín,N-aicéitil-5′ -O- [bis(4-meatocsafeinil)feinilmeitil]-2′-dé-ocsai-2′-fluar-, 3′-[2-cianóeitile bis(1-meitileitile)fosfaraimídít] (9CI)
Speictrim atá ar fáil
Aifreann
Maoine atá ar fáil
Bitheolaíoch
Ceimiceach
Lipinski
Struchtúr Gaolmhar
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bith-thiúchana | 8.60 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 90.3 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 3940 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 39100 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 64300 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 68100 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 68300 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 66800 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 54300 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 19200 | pH 10; Teocht: 25 °C | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Coinníoll | Foinse |
| Koc | 12.6 | pH 1; Teocht: 25 °C | (1) ACD |
| Koc | 133 | pH 2; Teocht: 25 °C | (1) ACD |
| Koc | 5790 | pH 3; Teocht: 25 °C | (1) ACD |
| Koc | 57400 | pH 4; Teocht: 25 °C | (1) ACD |
| Koc | 94500 | pH 5; Teocht: 25 °C | (1) ACD |
| Koc | 1.00 x 105 | pH 6; Teocht: 25 °C | (1) ACD |
| Koc | 1.00 x 105 | pH 7; Teocht: 25 °C | (1) ACD |
| Koc | 98200 | pH 8; Teocht: 25 °C | (1) ACD |
| Koc | 79700 | pH 9; Teocht: 25 °C | (1) ACD |
| Koc | 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 |
| Intuaslagthacht Intreach Mais | 4.5 x 10-5 g/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.36 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.035 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 7.90 x 10-4 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 7.9 x 10-5 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.8 x 10-5 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.6 x 10-5 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.6 x 10-5 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.7 x 10-5 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 5.7 x 10-5 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 1.6 x 10-4 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.6 x 10-5 g/L | Uisce Gan Maolán pH 7.00; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mhólar | 5.7 x 10-8 móil/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 4.6 x 10-4 móil/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 4.4 x 10-5 móil/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.00 x 10-6 móil/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.0 x 10-7 móil/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 6.1 x 10-8 móil/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 5.8 x 10-8 móil/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 5.8 x 10-8 móil/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 5.9 x 10-8 móil/L | pH 8; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Intuaslagthacht Mhólar | 7.2 x 10-8 móil/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.0 x 10-7 móil/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 5.8 x 10-8 móil/L | Uisce Gan Maolán pH 7.00; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 789.83 | ||
| pKa | 10.11±0.20 | Teocht is Aigéadaí: 25 °C | (1) ACD |
| pKa | 3.57±0.20 | Teocht is Bunúsaí: 25 °C | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Foinse Coinníoll |
| Achar Dromchla Polach | 158 A2 | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
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