![C53H66N7O8PSi Uimh. CAS: 104992-55-4 Adenosine, N-beinsóil-5′-O- [bis(4-meatocsaifeinil)feinilmeitil]-2′ – O- [(1,1-démheitileitile)démheitilsilil]-, 3′ – [2-cianó-eitile N,N-bis(1-meitileitile)fosfaraimídít] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C53H66N7O8PSi Uimh. CAS: 104992-55-4 Adenosine, N-beinsóil-5′-O- [bis(4-meatocsaifeinil)feinilmeitil]-2′ – O- [(1,1-démheitileitile)démheitilsilil]-, 3′ – [2-cianó-eitile N,N-bis(1-meitileitile)fosfaraimídít] (ACI) Íomhá Réadmhaoin](https://www.csnvchem.com/uploads/C53H66N7O8PSi.png)
C53H66N7O8PSi Uimh. CAS: 104992-55-4 Adenosine, N-beinsóil-5′-O- [bis(4-meatocsaifeinil)feinilmeitil]-2′ – O- [(1,1-démheitileitile)démheitilsilil]-, 3′ – [2-cianó-eitile N,N-bis(1-meitileitile)fosfaraimídít] (ACI)
Uimhir Chlárúcháin CAS
104992-55-4
| Príomhairíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 988.19 | - |
| pKa (Tuartha) | 7.87±0.43 | Teocht is Aigéadaí: 25 °C |
GÁIRÍ CHANÓNACHA
N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1O[Si](C)(C)C(C)(C)C)COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7= CC=C(OC)C=C7)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](O[Si](C(C)(C)C)(C)C)[C@@H](O1)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4) N=CN3)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
InChI
InchI= 1S/C53H66N7O8PSi/c1-36(2)60(37(3)4)69(65-32-18-31-54)67-46-44(33-64-53(39-21-16-13-17-22-39,40-22-23) )41-25-29-43(63-9)30-26-41)66-51(47(46)68-70(10,11)52(5,6)7)59-35-57-45-48(55-34-56-49(45)59)58-50(61)38-19-14-12-15-20-38/u1 2-17,19-30,34-37,44,46-47,51U,18,32-33U2,1-11U3,(U,55,56,58,61)/t44-,46-,47-,51-,69?/m1/s1
Eochair InChI
FFXHNCNNHASXCT-RFMFGJHUSA-N
1 Ainm Eile don tSubstaint seo
Adenosine,N-beinsóil-5′ -O- [bis(4-meatocsaifeinil)feinilmeitil]-2′ -O- [(1,1-démheitileitile)démheitilsilil]-, 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 | 5.50 x 105 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.00 x 106 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.00 x 106 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.00 x 106 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.00 x 106 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.00 x 106 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.00 x 106 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.00 x 106 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.00 x 106 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.00 x 106 | 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 | 61500 | pH 1; Teocht: 25 °C | (1) ACD |
| Koc | 1.64 x 106 | pH 2; Teocht: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 3; Teocht: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 4; Teocht: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 5; Teocht: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 6; Teocht: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 7; Teocht: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 8; Teocht: 25 °C | (1) ACD |
| Koc | 3.20 x 106 | pH 9; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Koc | 9.24 x 105 | pH 10; Teocht: 25 °C | (1) ACD |
| logD | 8.81 | pH 1; Teocht: 25 °C | (1) ACD |
| logD | 10.24 | pH 2; Teocht: 25 °C | (1) ACD |
| logD | 11.24 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | 11.73 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | 11.83 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | 11.83 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | 11.75 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | 11.31 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | 10.53 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | 9.99 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | 11.845±0.715 | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mais | 1.2 x 10-5 g/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.5 x 10-3 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 1.1 x 10-4 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 9.9 x 10-6 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.4 x 10-6 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 2.7 x 10-6 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 2.7 x 10-6 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.2 x 10-6 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 8.9 x 10-6 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 6.3 x 10-5 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.2 x 10-4 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.2 x 10-6 g/L | Uisce Gan Maolán pH 7.00; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mhólar | 1.2 x 10-8 móil/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 3.5 x 10-6 móil/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.1 x 10-7 móil/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.0 x 10-8 móil/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 3.4 x 10-9 móil/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.7 x 10-9 móil/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.7 x 10-9 móil/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 3.2 x 10-9 móil/L | pH 7; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Intuaslagthacht Mhólar | 9.0 x 10-9 móil/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 6.4 x 10-8 móil/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 4.2 x 10-7 móil/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 3.2 x 10-9 móil/L | Uisce Gan Maolán pH 7.00; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 988.19 | ||
| pKa | 7.87±0.43 | Teocht is Aigéadaí: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | 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 | Coinníoll | Foinse |
| Bannaí Rothlach Saor in Aisce | 21 | (1) ACD | |
| Glacadóirí H | 15 | (1) ACD | |
| Deontóirí H | 1 | (1) ACD | |
| Suim an Deontóra/Glacadóra H | 16 | (1) ACD | |
| logP | 11.845±0.715 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 988.19 |
| Maoin | Luach | Foinse Coinníoll |
| Achar Dromchla Polach | 178 A2 | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Bogearraí Forbartha Ceimice Ardleibhéil (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Speictrim atá ar fáil
1H NMR
13C NMR
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