![C53H66N7O8PSi NÍL CAS: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O- [(1,1-démheitile)démheitil-sil]-, 3′ – [2-chianoethyl N,N-bis(1- meitiile)fosfaraimídít] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C53H66N7O8PSi NÍL CAS: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O- [(1,1-démheitile)démheitil-sil]-, 3′ – [2-chianoethyl N,N-bis(1- meitileitil)fosfaraimídít] (ACI) Íomhá Réadmhaoin](https://www.csnvchem.com/uploads/C53H66N7O8PSi.png)
C53H66N7O8PSi NÍL CAS: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O- [(1,1-démheitile)démheitil-sil]-, 3′ – [2-chianoethyl N,N-bis(1- meitiile)fosfaraimídít] (ACI)
Uimhir Chláraithe CAS
104992-55-4
| Príomh-Airíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 988. 19 | - |
| pKa (Tuartha) | 7.87±0.43 | Teocht is Airde: 25 °C |
SMILES Canonical
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
SMILES 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- 17-22-39,40-23-27-42(62-8)28-24-40 )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/h1 2-17,19-30,34-37,44,46-47,51H,18,32-33H2,1-11H3,(H,55,56,58,61)/t44-,46-,47- ,51-,69?/m1/s1
Eochair InChI
FFXHNCNNHASXCT-RFMFGJHUSA-N
1 Ainm Eile don tSubstaint seo
Adenóisín,N-benzoyl-5′ -O- [bis(4- meatocsaifeinil)feinilmeitil]-2′ -O- [(1,1-démheitile)démheitilsil]-, 3′ - [2-cianoethyl bis(1- meitiileitil)fosfaraimít] (9CI)
Spectra ar fáil
Aifreann
Airíonna ar fáil
Bitheolaíoch
Ceimiceach
Lipinski
Struchtúr Gaolmhar
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 5.50×105 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.00 x 106 | 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 | 61500 | pH 1; Teocht: 25 °C | (1) ACD |
| Cóc | 1.64×106 | pH 2; Teocht: 25 °C | (1) ACD |
| Cóc | 1.00 x 107 | pH 3; Teocht: 25 °C | (1) ACD |
| Cóc | 1.00 x 107 | pH 4; Teocht: 25 °C | (1) ACD |
| Cóc | 1.00 x 107 | pH 5; Teocht: 25 °C | (1) ACD |
| Cóc | 1.00 x 107 | pH 6; Teocht: 25 °C | (1) ACD |
| Cóc | 1.00 x 107 | pH 7; Teocht: 25 °C | (1) ACD |
| Cóc | 1.00 x 107 | pH 8; Teocht: 25 °C | (1) ACD |
| Cóc | 3.20×106 | pH 9; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Cóc | 9.24×105 | 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 |
| Tuaslagthacht Intreach Aifrinn | 1.2 x 10-5 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 3.5 x 10-3 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 1.1 x 10-4 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 9.9 x 10-6 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 3.4 x 10-6 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 2.7 x 10-6 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 2.7 x 10-6 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 3.2 x 10-6 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 8.9 x 10-6 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 6.3 x 10-5 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.2 x 10-4 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 3.2 x 10-6 g/L | Uisce Neamh-mhaolaithe pH 7.00; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 1.2 x 10-8 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 3.5 x 10-6 mol/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.1 x 10-7 mol/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 1.0 x 10-8 mol/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 3.4 x 10-9 mol/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.7 x 10-9 mol/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.7 x 10-9 mol/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 3.2 x 10-9 mol/L | pH 7; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Tuaslagthacht Molar | 9.0 x 10-9 mol/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 6.4 x 10-8 mol/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 4.2 x 10-7 mol/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 3.2 x 10-9 mol/L | Uisce Neamh-mhaolaithe pH 7.00; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 988. 19 | ||
| pKa | 7.87±0.43 | 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 | 21 | (1) ACD | |
| H Glacadóirí | 15 | (1) ACD | |
| H Deontóirí | 1 | (1) ACD | |
| H Suim Deontóra/Ghlacadóir | 16 | (1) ACD | |
| logP | 11.845±0.715 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 988. 19 |
| Maoin | Luach | Foinse Coinníoll |
| Achar Dromchla Polar | 178 A2 | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Bogearraí Ardfhorbartha Ceimice (ACD/Saotharlanna) V11.02 (© 1994-2023 ACD/Labs)
Spectra ar fáil
1 H NMR
13 C NMR
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