C47H60N7O10P Guanóisín, 5′-O-[bis(4-meatocsafheinil)feinilmeitil]-2′-O-(2-meatocsaitil)-N-(2-meitil-1-ocsapróipil)-, 3′-[2-cianóeitile N,N-bis(1-meitileitile)fosfaraimídít] (ACI)
Uimhir Chlárúcháin CAS
251647-55-9
H302
Príomhairíonna Fisiceacha | Luach | Coinníoll |
Meáchan Móilíneach | 914.00 | - |
pKa (Tuartha) | 9.16±0.20 | Teocht is Aigéadaí: 25 °C |
GÁIRÍ CHANÓNACHA
N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6) 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](OCCOC)[C@@H](O1)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C (OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChI
InchI= 1S/C47H60N7O10P/c1-30(2)43(55)51-46-50-42-39(44(56)52-46)49-29-53(42)45-41(60-27-26-57-7)40(63-25(63-25) 31(3)4)32(5)6)38(63-45)28-61-47(33-14-11-10-12-15-33,34-16-20-36(58-8)21-17-34)35-18-22-37(59-9)23-19-35/u10-12,14-23,29-32,38,40-41,45U,13,25-28U2,1-9U3,(U2,50,51,52,55,56)/t38-,40-,41-,45-,65?/m1/s1
Eochair InChI
LADCDGNEBIQAAU-SBCRAQIVSA-N
17 Ainm Eile don tSubstaint seo
Guanóisín, 5′ -O- [bis(4-meatocsaifeinil)feinilmeitil]-2′ -O-(2-meatocsaeitile)-N-(2-meitil-1-ocsapróipil)-, 3′-[2-cianó-eitile bis(1-meitileitile)fosfaraimídít] (9CI); 17: PN: US20030212017 LEATHANACH: 20 seicheamh éilithe; 18: PN: US20030211606 LEATHANACH: 20
seicheamh éilithe; 19: PN: US20040005569 LEATHANACH: 22 seicheamh éilithe; 21: PN: US20040006030 LEATHANACH: 23 seicheamh éilithe; 21: PN: US20040014047 LEATHANACH: 21 seicheamh éilithe; 21: PN: US20040014049 LEATHANACH: 21 seicheamh éilithe; 22: PN: US20030198965 LCH
E: 20 seicheamh éilithe; 22: PN: US20040005570 LEATHANACH: 21 seicheamh éilithe; 22: PN: US20040014048 LEATHANACH: 21 seicheamh éilithe;
22: PN: US20040014050 LEATHANACH: 21 seicheamh éilithe; 23: PN: US20040005565 LEATHANACH: 17-22 seicheamh éilithe; 23: PN: US20040
014051 LEATHANACH: 23 seicheamh éilithe; 24: PN: US20040014699 LEATHANACH: 21 seicheamh éilithe; 25: PN: US20040006029 LEATHANACH: 23 seicheamh éilithe; 25: PN: WO03106645 LEATHANACH: 73 seicheamh éilithe; 96: PN: US20040005707 LEATHANACH: 21 seicheamh éilithe
Speictrim atá ar fáil
13C NMR
NMR heitreató
Maoine atá ar fáil
Bitheolaíoch
Ceimiceach
Lipinski
Struchtúr Gaolmhar
Maoin | Luach | Coinníoll | Foinse |
Fachtóir Bith-thiúchana | 121 | pH 1; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 2580 | pH 2; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 23500 | pH 3; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 71800 | pH 4; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 89800 | pH 5; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 92100 | pH 6; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 91300 | pH 7; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 82500 | pH 8; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 42200 | pH 9; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 7860 | 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 | 164 | pH 1; Teocht: 25 °C | (1) ACD |
Koc | 3480 | pH 2; Teocht: 25 °C | (1) ACD |
Koc | 31700 | pH 3; Teocht: 25 °C | (1) ACD |
Koc | 96900 | pH 4; Teocht: 25 °C | (1) ACD |
Koc | 1.21 x 105 | pH 5; Teocht: 25 °C | (1) ACD |
Maoin | Luach | Coinníoll | Foinse |
Koc | 1.24 x 105 | pH 6; Teocht: 25 °C | (1) ACD |
Koc | 1.23 x 105 | pH 7; Teocht: 25 °C | (1) ACD |
Koc | 1.11 x 105 | pH 8; Teocht: 25 °C | (1) ACD |
Koc | 56900 | pH 9; Teocht: 25 °C | (1) ACD |
Koc | 10600 | pH 10; Teocht: 25 °C | (1) ACD |
logD | 3.95 | pH 1; Teocht: 25 °C | (1) ACD |
logD | 5.28 | pH 2; Teocht: 25 °C | (1) ACD |
logD | 6.24 | pH 3; Teocht: 25 °C | (1) ACD |
logD | 6.73 | pH 4; Teocht: 25 °C | (1) ACD |
logD | 6.82 | pH 5; Teocht: 25 °C | (1) ACD |
logD | 6.83 | pH 6; Teocht: 25 °C | (1) ACD |
logD | 6.83 | pH 7; Teocht: 25 °C | (1) ACD |
logD | 6.79 | pH 8; Teocht: 25 °C | (1) ACD |
logD | 6.50 | pH 9; Teocht: 25 °C | (1) ACD |
logD | 5.77 | pH 10; Teocht: 25 °C | (1) ACD |
logP | 6.837±0.764 | Teocht: 25 °C | (1) ACD |
Intuaslagthacht Intreach Mais | 4.4 x 10-4 g/L | Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 0.34 g/L | pH 1; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 0.016 g/L | pH 2; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 1.7 x 10-3 g/L | pH 3; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 5.7 x 10-4 g/L | pH 4; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 4.6 x 10-4 g/L | pH 5; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 4.4 x 10-4 g/L | pH 6; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 4.5 x 10-4 g/L | pH 7; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 4.9 x 10-4 g/L | pH 8; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 1.0 x 10-3 g/L | pH 9; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 5.2 x 10-3 g/L | pH 10; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 4.5 x 10-4 g/L | Uisce Gan Maolán pH 6.99; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Intreach Mhólar | 4.8 x 10-7 móil/L | Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 3.7 x 10-4 móil/L | pH 1; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 1.7 x 10-5 móil/L | pH 2; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 1.9 x 10-6 móil/L | pH 3; Teocht: 25 °C | (1) ACD |
Maoin | Luach | Coinníoll | Foinse |
Intuaslagthacht Mhólar | 6.2 x 10-7 móil/L | pH 4; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 5.0 x 10-7 móil/L | pH 5; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 4.8 x 10-7 móil/L | pH 6; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 4.9 x 10-7 móil/L | pH 7; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 5.4 x 10-7 móil/L | pH 8; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 1.1 x 10-6 móil/L | pH 9; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 5.7 x 10-6 móil/L | pH 10; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 4.9 x 10-7 móil/L | Uisce Gan Maolán pH 6.99; Teocht: 25 °C | (1) ACD |
Meáchan Móilíneach | 914.00 | ||
pKa | 9.16±0.20 | 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 | 22 | (1) ACD | |
Glacadóirí H | 17 | (1) ACD | |
Deontóirí H | 2 | (1) ACD | |
Suim an Deontóra/Glacadóra H | 19 | (1) ACD | |
logP | 6.837±0.764 | Teocht: 25 °C | (1) ACD |
Meáchan Móilíneach | 914.00 |
(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 | 203 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
Foinse Ráiteas Guaise Cód | |
H302 Díobhálach má shlogtar é | Aicmiú agus Lipéadú na Gníomhaireachta Eorpaí Ceimiceán (ECHA) Fardal - Aicmiú agus lipéadú fógartha - na fógraí is coitianta, Gníomhaireacht Eorpach Ceimiceán (ECHA) Fardal Aicmithe agus Lipéadaithe - Aicmiú agus lipéadú fógartha - na fógraí is tromchúisí |