C43H55N4O10P Úirídín, 5′-O-[bis(4-meatocsaifeinil)feinilmeitil]-2′-O-(2-meatocsaieitile)-5-meitil-, 3′-[2-cianóeitile N,N-bis(1-meitileitile)fosfaraimídít] (ACI)
Uimhir Chlárúcháin CAS
163878-63-5
H302
| Príomhairíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 818.89 | - |
| pKa (Tuartha) | 9.55±0.10 | Teocht is Aigéadaí: 25 °C |
GÁIRÍ CHANÓNACHA
N#CCCOP(OC1C(OC(N2C=C(C(=O)NC2=O)C)C1OCCOC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)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)N2C(=O)NC(=O)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC =C(OC)C=C4)C5=CC=CC=C5
InChI
InchI= 1S/C43H55N4O10P/c1-29(2)47(30(3)4)58(55-24-12-23-44)57-38-37(56-41(39(38)53-26-25-50-6)46-27-34(2) 8-54-43(32-13-10-9-11-14-32,33-15-19-35(51-7)20-16-33)34-17-21-36(52-8)22-18-34/u9-11,13-22,27,29-30,37-39,41U,12,24-26,28U2, 1-8U3,(U,45,48,49)/t37-,38-,39-,41-,58?/m1/s1
Eochair InChI
YFRRKZDUDXHJNC-KZQAAKLLSA-N
17 Ainm Eile don tSubstaint seo
Úirídín, 5′ -O- [bis(4-meatocsaifeinil)feinilmeitil]-2′ -O-(2-meatocsaeitile)-5-meitil-, 3′-[2-cianaeitile bis(1-meitileitile)fosfar
aimídít] (9CI); 10: PN: US20030212017 LEATHANACH: 18 RNA éilithe; 11: PN: US20030211606 LEATHANACH: 18 RNA éilithe; 13: PN: US20040
005569 LEATHANACH: 21 RNA éilithe; 13: PN: US20040006030 LEATHANACH: 22 RNA éilithe; 13: PN: US20040014048 LEATHANACH: 19 RNA éilithe; 13: PN: US20040014049 LEATHANACH: 19 RNA éilithe; 14: PN: US20030198965 LEATHANACH: 19 RNA éilithe; 14: PN: US20040005565 LEATHANACH: 17- 22 RNA éilithe; 14: PN: US20040005570 LEATHANACH: 19 RNA éilithe; 14: PN: US20040014047 LEATHANACH: 19 RNA éilithe; 14: PN: US20040
014699 LEATHANACH: 19 RNA éilithe; 15: Uimhir PN: US20040014050 LEATHANACH: 19 RNA éilithe; 15: Uimhir PN: US20040014051 LEATHANACH: 21 RNA éilithe; 15:
Uimhir PN: WO03106645 LEATHANACH: 69 RNA éilithe; 16: Uimhir PN: US20040006029 LEATHANACH: 22 RNA éilithe; 87: Uimhir PN: US20040005707 LEATHANACH: 19 RNA éilithe
Speictrim atá ar fáil
1H NMR
13C NMR
NMR heitreató
Maoine atá ar fáil
Bitheolaíoch
Ceimiceach
Lipinski
Struchtúr Gaolmhar
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bith-thiúchana | 348 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 2810 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 21100 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 63100 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 78800 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 80800 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 80800 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 78800 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 63400 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 21800 | 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 | 487 | pH 1; Teocht: 25 °C | (1) ACD |
| Koc | 3940 | pH 2; Teocht: 25 °C | (1) ACD |
| Koc | 29600 | pH 3; Teocht: 25 °C | (1) ACD |
| Koc | 88400 | pH 4; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Koc | 1.10 x 105 | pH 5; Teocht: 25 °C | (1) ACD |
| Koc | 1.13 x 105 | pH 6; Teocht: 25 °C | (1) ACD |
| Koc | 1.13 x 105 | pH 7; Teocht: 25 °C | (1) ACD |
| Koc | 1.10 x 105 | pH 8; Teocht: 25 °C | (1) ACD |
| Koc | 88800 | pH 9; Teocht: 25 °C | (1) ACD |
| Koc | 30600 | pH 10; Teocht: 25 °C | (1) ACD |
| logD | 4.39 | pH 1; Teocht: 25 °C | (1) ACD |
| logD | 5.30 | pH 2; Teocht: 25 °C | (1) ACD |
| logD | 6.18 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | 6.65 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | 6.75 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | 6.76 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | 6.76 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | 6.75 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | 6.65 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | 6.19 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | 6.761±0.669 | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mais | 2.0 x 10-4 g/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 0.046 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 5.7 x 10-3 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 7.6 x 10-4 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 2.5 x 10-4 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 2.0 x 10-4 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 2.0 x 10-4 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 2.0 x 10-4 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 2.0 x 10-4 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 2.5 x 10-4 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 7.4 x 10-4 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 2.0 x 10-4 g/L | Uisce Gan Maolán pH 7.00; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mhólar | 2.4 x 10-7 móil/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 5.6 x 10-5 móil/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 7.0 x 10-6 móil/L | pH 2; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Intuaslagthacht Mhólar | 9.3 x 10-7 móil/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 3.1 x 10-7 móil/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.5 x 10-7 móil/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.4 x 10-7 móil/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.4 x 10-7 móil/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.5 x 10-7 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 | 9.0 x 10-7 móil/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 2.4 x 10-7 móil/L | Uisce Gan Maolán pH 7.00; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 818.89 | ||
| pKa | 9.55±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 | 21 | (1) ACD | |
| Glacadóirí H | 14 | (1) ACD | |
| Deontóirí H | 1 | (1) ACD | |
| Suim an Deontóra/Glacadóra H | 15 | (1) ACD | |
| logP | 6.761±0.669 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 818.89 |
(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 | 164 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 |
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