C39H46FN4O8P Úirídín, 5′-O-[bis(4-meatocsaifeinil)feinilmeitil]-2′-dé-ocsai-2′-fluar-, 3′-[2-cianóeitile N,N-bis(1-meitileitile)fosfaraimídít] (ACI)
Uimhir Chlárúcháin CAS
146954-75-8
Príomhairíonna Fisiceacha | Luach | Coinníoll |
Meáchan Móilíneach | 748.78 | - |
pKa (Tuartha) | 9.39±0.10 | 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=CC(=O)NC5=O)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)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C= C4)C5=CC=CC=C5
InChI
InchI= 1S/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-24-10-22-41)52-36-33(51-37(35(36)40)43-23-21-34(45()43-43(21-34(45)43-43) -8-7-9-12-28,29-13-17-31(47-5)18-14-29)30-15-19-32(48-6)20-16-3 0/h7-9,11-21,23,26-27,33,35-37H,10,24-25H2,1-6H3,(H,42,45,46)/t3 3-,35-,36-,37-,53?/m1/s1
Eochair InChI
HQHQPAYRJJMYQX-DJTPZYMWSA-N
1 Ainm Eile don tSubstaint seo
Úirídín, 5′ -O- [bis(4-meatocsaifeinil)feinilmeitil]-2′-dé-ocsai-2′-fluar-, 3′-[2-cianóeitile bis(1-meitileitile)fosfaraimídít] (9CI)
Maoine atá ar fáil
Bitheolaíoch
Ceimiceach
Lipinski
Struchtúr Gaolmhar
Maoin | Luach | Coinníoll | Foinse |
Fachtóir Bith-thiúchana | 457 | pH 1; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 3690 | pH 2; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 27700 | pH 3; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 82900 | pH 4; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 1.04 x 105 | pH 5; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 1.06 x 105 | pH 6; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 1.06 x 105 | pH 7; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 1.02 x 105 | pH 8; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 76200 | pH 9; Teocht: 25 °C | (1) ACD |
Fachtóir Bith-thiúchana | 22000 | 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 592 pH 1; Teocht: 25 °C (1) ACD |
Koc 4790 pH 2; Teocht: 25 °C (1) ACD |
Koc 36000 pH 3; Teocht: 25 °C (1) ACD |
Koc 1.07 x 105 pH 4; Teocht: 25 °C (1) ACD |
Koc 1.34 x 105 pH 5; Teocht: 25 °C (1) ACD |
Koc 1.38 x 105 pH 6; Teocht: 25 °C (1) ACD |
Koc 1.37 x 105 pH 7; Teocht: 25 °C (1) ACD |
Koc 1.33 x 105 pH 8; Teocht: 25 °C (1) ACD |
Koc 98800 pH 9; Teocht: 25 °C (1) ACD |
Koc 28600 pH 10; Teocht: 25 °C (1) ACD |
logD 4.55 pH 1; Teocht: 25 °C (1) ACD |
logD 5.46 pH 2; Teocht: 25 °C (1) ACD |
logD 6.33 pH 3; Teocht: 25 °C (1) ACD |
Maoin | Luach | Coinníoll | Foinse |
logD | 6.81 | pH 4; Teocht: 25 °C | (1) ACD |
logD | 6.91 | pH 5; Teocht: 25 °C | (1) ACD |
logD | 6.92 | pH 6; Teocht: 25 °C | (1) ACD |
logD | 6.92 | pH 7; Teocht: 25 °C | (1) ACD |
logD | 6.90 | pH 8; Teocht: 25 °C | (1) ACD |
logD | 6.77 | pH 9; Teocht: 25 °C | (1) ACD |
logD | 6.23 | pH 10; Teocht: 25 °C | (1) ACD |
logP | 6.918±0.641 | Teocht: 25 °C | (1) ACD |
Intuaslagthacht Intreach Mais | 2.2 x 10-5 g/L | Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 5.1 x 10-3 g/L | pH 1; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 6.3 x 10-4 g/L | pH 2; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 8.2 x 10-5 g/L | pH 3; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 2.8 x 10-5 g/L | pH 4; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 2.2 x 10-5 g/L | pH 5; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 2.2 x 10-5 g/L | pH 6; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 2.2 x 10-5 g/L | pH 7; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 2.2 x 10-5 g/L | pH 8; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 3.0 x 10-5 g/L | pH 9; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 1.0 x 10-4 g/L | pH 10; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mais | 2.2 x 10-5 g/L | Uisce Gan Maolán pH 7.00; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Intreach Mhólar | 2.9 x 10-8 móil/L | Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 6.8 x 10-6 móil/L | pH 1; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 8.4 x 10-7 móil/L | pH 2; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 1.1 x 10-7 móil/L | pH 3; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 3.7 x 10-8 móil/L | pH 4; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 3.0 x 10-8 móil/L | pH 5; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 2.9 x 10-8 móil/L | pH 6; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 2.9 x 10-8 móil/L | pH 7; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 3.0 x 10-8 móil/L | pH 8; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 4.0 x 10-8 móil/L | pH 9; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 1.4 x 10-7 móil/L | pH 10; Teocht: 25 °C | (1) ACD |
Intuaslagthacht Mhólar | 2.9 x 10-8 móil/L | Uisce Gan Maolán pH 7.00; Teocht: 25 °C | (1) ACD |
Maoin | Luach | Coinníoll | Foinse |
Meáchan Móilíneach | 748.78 | ||
pKa | 9.39±0.10 | 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 | 17 | (1) ACD | |
Glacadóirí H | 12 | (1) ACD | |
Deontóirí H | 1 | (1) ACD | |
Suim an Deontóra/Glacadóra H | 13 | (1) ACD | |
logP | 6.918±0.641 | Teocht: 25 °C | (1) ACD |
Meáchan Móilíneach | 748.78 |
(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 | 145 A2 | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)