C44H53FN7O8 Guanóisín, 5′-O-[bis(4-meatocsafheinil)feinilmeitil]-2′-dé-ocsai-2′ – fluair-N-(2-meitil-1-ocsapróipil)-, 3′ – [2-cianóeitile N,N-bis(1-meitile eitile)fosfaraimídít] (ACI)
Uimhir Chlárúcháin CAS
144089-97-4
Príomhairíonna Fisiceacha | Luach | Coinníoll |
Meáchan Móilíneach | 857.91 | - |
pKa (Tuartha) | 9.16±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= NC=6C(=O)N=C(NC(=O)C(C)C)NC65)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)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/C44H53FN7O8P/c1-27(2)40(53)49-43-48-39-37(41(54)50-43)47-26-51(39)42-36(45)38(60-61(58-23-43(24) 6)35(59-42)25-57-44(30-13-10-9-11-14-30,31-15-19-33(55-7)20-16- 31)32-17-21-34(56-8)22-18-32/h9-11,13-22,26-29,35-36,38,42H,12, 24-25H2,1-8H3,(H2,48,49,50,53,54)/t35-,36-,38-,42-,61?/m1/s1
Eochair InChI
KJFUMXZZVYMQEU-AOCJBPQJSA-N
1 Ainm Eile don tSubstaint seo
Guanóisín, 5′ -O- [bis(4-meatocsaifeinil)feinilmeitil]-2′-dé-ocsai-2′-fluar-N-(2-meitil-1-ocsapróipil)-, 3′-[2-cian-eitile bis(1-meitil eitile)fosfaraimídít] (9CI)
Maoine atá ar fáil
Bitheolaíoch
Ceimiceach
Lipinski
Struchtúr Gaolmhar
Maoin | Luach | Coinníoll | Foinse |
Fachtóir Bith-thiúchana | 298 | pH 1; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 6350 | pH 2; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 57800 | pH 3; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 1.76 x 105 | pH 4; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 2.21 x 105 | pH 5; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 2.26 x 105 | pH 6; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 2.24 x 105 | pH 7; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 2.03 x 105 | pH 8; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 1.04 x 105 | pH 9; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 19300 | 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)
Foinse Coinníoll Luach Maoine |
Koc 312 pH 1; Teocht: 25 °C (1) ACD |
Koc 6630 pH 2; Teocht: 25 °C (1) ACD |
Koc 60400 pH 3; Teocht: 25 °C (1) ACD |
Koc 1.84 x 105 pH 4; Teocht: 25 °C (1) ACD |
Koc 2.31 x 105 pH 5; Teocht: 25 °C (1) ACD |
Koc 2.37 x 105 pH 6; Teocht: 25 °C (1) ACD |
Koc 2.35 x 105 pH 7; Teocht: 25 °C (1) ACD |
Koc 2.12 x 105 pH 8; Teocht: 25 °C (1) ACD |
Koc 1.08 x 105 pH 9; Teocht: 25 °C (1) ACD |
Koc 20200 pH 10; Teocht: 25 °C (1) ACD |
logD 4.47 pH 1; Teocht: 25 °C (1) ACD |
logD 5.80 pH 2; Teocht: 25 °C (1) ACD |
Maoin | Luach | Coinníoll | Foinse |
logD | 6.76 | pH 3; Teocht: 25 °C | (1) ACD |
logD | 7.24 | pH 4; Teocht: 25 °C | (1) ACD |
logD | 7.34 | pH 5; Teocht: 25 °C | (1) ACD |
logD | 7.35 | pH 6; Teocht: 25 °C | (1) ACD |
logD | 7.35 | pH 7; Teocht: 25 °C | (1) ACD |
logD | 7.30 | pH 8; Teocht: 25 °C | (1) ACD |
logD | 7.01 | pH 9; Teocht: 25 °C | (1) ACD |
logD | 6.28 | pH 10; Teocht: 25 °C | (1) ACD |
logP | 7.351±0.713 | Teocht: 25 °C | (1) ACD |
Intuaslagthacht Intreach Mais | 3.0 x 10-5 g/L | Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 0.022 g/L | pH 1; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 1.0 x 10-3 g/L | pH 2; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 1.2 x 10-4 g/L | pH 3; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.9 x 10-5 g/L | pH 4; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.1 x 10-5 g/L | pH 5; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.0 x 10-5 g/L | pH 6; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.0 x 10-5 g/L | pH 7; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.3 x 10-5 g/L | pH 8; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 6.5 x 10-5 g/L | pH 9; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.5 x 10-4 g/L | pH 10; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.0 x 10-5 g/L | Uisce Gan Maolán pH 7.00; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Intreach Mhólar | 3.5 x 10-8 móil/L | Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 2.6 x 10-5 móil/L | pH 1; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 1.2 x 10-6 móil/L | pH 2; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 1.4 x 10-7 móil/L | pH 3; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 4.5 x 10-8 móil/L | pH 4; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 3.6 x 10-8 móil/L | pH 5; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 3.5 x 10-8 móil/L | pH 6; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 3.5 x 10-8 móil/L | pH 7; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 3.9 x 10-8 móil/L | pH 8; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 7.6 x 10-8 móil/L | pH 9; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 4.1 x 10-7 móil/L | pH 10; Teocht: 25 °C | (1) ACD |
Maoin | Luach | Coinníoll | Foinse |
Intuaslagthacht Mhólar | 3.5 x 10-8 móil/L | Uisce Gan Maolán pH 7.00; Teocht: 25 °C | (1) ACD |
Meáchan Móilíneach | 857.91 | ||
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 | Foinse Coinníoll |
Achar Dromchla Polach | 184 A2 | (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 | 18 | (1) ACD | |
Glacadóirí H | 15 | (1) ACD | |
Deontóirí H | 2 | (1) ACD | |
Suim an Deontóra/Glacadóra H | 17 | (1) ACD | |
logP | 7.351±0.713 | Teocht: 25 °C | (1) ACD |
Meáchan Móilíneach | 857.91 |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)