![C48H54N7O8P Adenosine, N-beinsóil-5′-O-[bis(4-meatocsaifeinil)feinilmeitil]-2′ – O-meitil-, 3′ – [2-cianó-eitile N,N-bis(1-meitileitile)fosfar-aimídít] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C48H54N7O8P Adenosine, N-beinsóil-5′-O- [bis(4-meatocsaifeinil)feinilmeitil]-2′ – O-meitil-, 3′ – [2-cianó-eitile N,N-bis(1-meitileitile)fosfar-aimídít] (ACI) Íomhá Réadmhaoin](https://www.csnvchem.com/uploads/C48H54N7O8P.png)
C48H54N7O8P Adenosine, N-beinsóil-5′-O-[bis(4-meatocsaifeinil)feinilmeitil]-2′ – O-meitil-, 3′ – [2-cianó-eitile N,N-bis(1-meitileitile)fosfar-aimídít] (ACI)
Uimhir Chlárúcháin CAS
110782-31-5
H335, H331, H319, H315, H311, H301+H311+H331, H301
| Príomhairíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 887.96 | - |
| 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)C1OC)COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7=CC=C(OC)C=C7)N(C)C
Gáirí Isiméireacha
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OC)[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/C48H54N7O8P/c1-32(2)55(33(3)4)64(61-28-14-27-49)63-42-40(62-47(43(42)59-7)54-31-52-41-44(51-45(51-45) 6)34-15-10-8-11-16-34)29-60-48(35-17-12-9-13-18-35,36-19-23-38(57-5)24-20-36)37-21-25-39(58-6)26-22-37/u8-13,15-26,30-33,40,4 2-43,47U,14,28-29U2,1-7U3,(U,50,51,53,56)/t40-,42-,43-,47-,64?/m1/s1
Eochair InChI
AZCGOTUYEPXHMJ-PSVHYZMASA-N
2 Ainm Eile don tSubstaint seo
Adenosine,N-beinsóil-5′ -O- [bis(4-meatocsaifeinil)feinilmeitil]-2′ -O-meitil-, 3′-[2-cianóeitile bis(1-meitileitile)fosfaraimídít] (9CI); 5′-O-(4,4′-démheitiocsítrítil)-N6-beinsóil-2′ -O-meitileadanóisín 3′-(2-cianóeitileN,N-dé-isopropilfosfaramidít)
Speictrim atá ar fáil
13C NMR
NMR heitreató
Aifreann
Maoine atá ar fáil
Bitheolaíoch
Ceimiceach
Lipinski
Struchtúr Gaolmhar
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bith-thiúchana | 4050 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 1.08 x 105 | 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 | 2.10 x 105 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 60800 | 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 | 1830 | pH 1; Teocht: 25 °C | (1) ACD |
| Koc | 48700 | pH 2; Teocht: 25 °C | (1) ACD |
| Koc | 4.91 x 105 | pH 3; Teocht: 25 °C | (1) ACD |
| Koc | 1.52 x 106 | pH 4; Teocht: 25 °C | (1) ACD |
| Koc | 1.90 x 106 | pH 5; Teocht: 25 °C | (1) ACD |
| Koc | 1.91 x 106 | pH 6; Teocht: 25 °C | (1) ACD |
| Koc | 1.57 x 106 | pH 7; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Koc | 5.78 x 105 | pH 8; Teocht: 25 °C | (1) ACD |
| Koc | 95000 | pH 9; Teocht: 25 °C | (1) ACD |
| Koc | 27500 | pH 10; Teocht: 25 °C | (1) ACD |
| logD | 6.01 | pH 1; Teocht: 25 °C | (1) ACD |
| logD | 7.43 | pH 2; Teocht: 25 °C | (1) ACD |
| logD | 8.44 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | 8.93 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | 9.02 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | 9.02 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | 8.94 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | 8.51 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | 7.72 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | 7.18 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | 9.038±0.723 | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mais | 1.4 x 10-5 g/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.014 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 5.3 x 10-4 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 5.3 x 10-5 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 1.7 x 10-5 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 1.3 x 10-5 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 1.3 x 10-5 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 1.7 x 10-5 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.5 x 10-5 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 2.8 x 10-4 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 9.8 x 10-4 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 1.7 x 10-5 g/L | Uisce Gan Maolán pH 6.99; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mhólar | 1.6 x 10-8 móil/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.6 x 10-5 móil/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 6.0 x 10-7 móil/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 6.0 x 10-8 móil/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.9 x 10-8 móil/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.5 x 10-8 móil/L | pH 5; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Intuaslagthacht Mhólar | 1.5 x 10-8 móil/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.9 x 10-8 móil/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 5.1 x 10-8 móil/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 3.1 x 10-7 móil/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.1 x 10-6 móil/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 1.9 x 10-8 móil/L | Uisce Gan Maolán pH 6.99; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 887.96 | ||
| 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 | 19 | (1) ACD | |
| Glacadóirí H | 15 | (1) ACD | |
| Deontóirí H | 1 | (1) ACD | |
| Suim an Deontóra/Glacadóra H | 16 | (1) ACD | |
| logP | 9.038±0.723 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 887.96 |
(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 | 178 A2 | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Speictrim atá ar fáil
1H NMR
13C NMR
| Cód | Ráiteas Guaise | Foinse |
| H335 | D’fhéadfadh greannú riospráide a bheith mar thoradh air | Curtha suas ag saineolaithe |
| Cód | Ráiteas Guaise | Foinse |
| H331 | Tocsaineach má ionanáiltear é | Curtha suas ag saineolaithe |
| H319 | Is cúis le greannú tromchúiseach súl | Curtha suas ag saineolaithe |
| H315 | Is cúis le greannú craicinn | Curtha suas ag saineolaithe |
| H311 | Tocsaineach i dteagmháil leis an gcraiceann | Curtha suas ag saineolaithe |
| H301+H311+H331 | Tocsaineach má shlogtar é, má théann sé i dteagmháil leis an gcraiceann nó má ionanáiltear é. | Curtha suas ag saineolaithe |
| H301 | Tocsaineach má shlogtar é | Curtha suas ag saineolaithe |
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