Guanóisín C47H60N7O10P, 5′ -O- [bis(4-methocsaifeinil)feinilmeitil]-2′ -O-(2- meatocsaitil)-N-(2-meitil-1-ocsaeapróipil)-,3′ – [2-cianoethyl N ,N-bis (1-meitileitil)fosfaraimídít] (ACI)
Uimhir Chláraithe CAS
251647-55-9
H302
Príomh-Airíonna Fisiceacha | Luach | Coinníoll |
Meáchan Móilíneach | 914. 00 | - |
pKa (Tuartha) | 9.16±0.20 | Teocht is Airde: 25 °C |
SMILES Canonical
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
SMILES Isiméireacha
C(OC[C@@H]1[C@H](OP(N(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(64-65(62-25-13-24-48)54(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/h10- 12,14-23,29-32,38,40-41,45H,13,25-28H2,1-9H3,(H2,50,51,52,55,56)/t38-,40-,41- ,45-,65?/m1/s1
Eochair InChI
LADCDGNEBIQAAU-SBCRAQIVSA-N
17 Ainmneacha Eile don tSubstaint seo
Guanáin, 5′ -O- [bis(4- meatocsaifeinil)feinilmeitil]-2′ -O-(2- meatocsaitil)-N-(2-meitil-1-ocsaeapróipil)-, 3′ - [2-cianoethyl bis(1- meitiileitil)fosfaraimidít] (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 PAG
E: seicheamh éilithe 20; 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
Spectra ar fáil
13 C NMR
Hetero NMR
Airíonna ar fáil
Bitheolaíoch
Ceimiceach
Lipinski
Struchtúr Gaolmhar
Maoin | Luach | Coinníoll | Foinse |
Fachtóir Bithtiúchana | 121 | pH 1; Teocht: 25 °C | (1) ACD |
Fachtóir Bithtiúchana | 2580 | pH 2; Teocht: 25 °C | (1) ACD |
Fachtóir Bithtiúchana | 23500 | pH 3; Teocht: 25 °C | (1) ACD |
Fachtóir Bithtiúchana | 71800 | pH 4; Teocht: 25 °C | (1) ACD |
Fachtóir Bithtiúchana | 89800 | pH 5; Teocht: 25 °C | (1) ACD |
Fachtóir Bithtiúchana | 92100 | pH 6; Teocht: 25 °C | (1) ACD |
Fachtóir Bithtiúchana | 91300 | pH 7; Teocht: 25 °C | (1) ACD |
Fachtóir Bithtiúchana | 82500 | pH 8; Teocht: 25 °C | (1) ACD |
Fachtóir Bithtiúchana | 42200 | pH 9; Teocht: 25 °C | (1) ACD |
Fachtóir Bithtiúchana | 7860 | pH 10; Teocht: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Maoin | Luach | Coinníoll | Foinse |
Cóc | 164 | pH 1; Teocht: 25 °C | (1) ACD |
Cóc | 3480 | pH 2; Teocht: 25 °C | (1) ACD |
Cóc | 31700 | pH 3; Teocht: 25 °C | (1) ACD |
Cóc | 96900 | pH 4; Teocht: 25 °C | (1) ACD |
Cóc | 1.21 x 105 | pH 5; Teocht: 25 °C | (1) ACD |
Maoin | Luach | Coinníoll | Foinse |
Cóc | 1.24×105 | pH 6; Teocht: 25 °C | (1) ACD |
Cóc | 1.23×105 | pH 7; Teocht: 25 °C | (1) ACD |
Cóc | 1.11×105 | pH 8; Teocht: 25 °C | (1) ACD |
Cóc | 56900 | pH 9; Teocht: 25 °C | (1) ACD |
Cóc | 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 |
Tuaslagthacht Intreach Aifrinn | 4.4 x 10-4 g/L | Teocht: 25 °C | (1) ACD |
Tuaslagthacht Aifreann | 0.34 g/L | pH 1; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Aifreann | 0.016 g/L | pH 2; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Aifreann | 1.7 x 10-3 g/L | pH 3; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Aifreann | 5.7 x 10-4 g/L | pH 4; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Aifreann | 4.6 x 10-4 g/L | pH 5; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Aifreann | 4.4 x 10-4 g/L | pH 6; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Aifreann | 4.5 x 10-4 g/L | pH 7; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Aifreann | 4.9 x 10-4 g/L | pH 8; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Aifreann | 1.0 x 10-3 g/L | pH 9; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Aifreann | 5.2 x 10-3 g/L | pH 10; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Aifreann | 4.5 x 10-4 g/L | Uisce Neamh-mhaolaithe pH 6.99; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Intreach Molar | 4.8 x 10-7 mol/L | Teocht: 25 °C | (1) ACD |
Tuaslagthacht Molar | 3.7 x 10-4 mol/L | pH 1; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Molar | 1.7 x 10-5 mol/L | pH 2; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Molar | 1.9 x 10-6 mol/L | pH 3; Teocht: 25 °C | (1) ACD |
Maoin | Luach | Coinníoll | Foinse |
Tuaslagthacht Molar | 6.2 x 10-7 mol/L | pH 4; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Molar | 5.0 x 10-7 mol/L | pH 5; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Molar | 4.8 x 10-7 mol/L | pH 6; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Molar | 4.9 x 10-7 mol/L | pH 7; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Molar | 5.4 x 10-7 mol/L | pH 8; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Molar | 1.1 x 10-6 mol/L | pH 9; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Molar | 5.7 x 10-6 mol/L | pH 10; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Molar | 4.9 x 10-7 mol/L | Uisce Neamh-mhaolaithe pH 6.99; Teocht: 25 °C | (1) ACD |
Meáchan Móilíneach | 914. 00 | ||
pKa | 9.16±0.20 | Teocht is Airde: 25 °C | (1) ACD |
pKa | 3.45±0.70 | Teocht is Bunúsaí: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Maoin | Luach | Coinníoll | Foinse |
Bannaí Rothlach Saor in Aisce | 22 | (1) ACD | |
H Glacadóirí | 17 | (1) ACD | |
H Deontóirí | 2 | (1) ACD | |
H Suim Deontóra/Ghlacadóir | 19 | (1) ACD | |
logP | 6.837±0.764 | Teocht: 25 °C | (1) ACD |
Meáchan Móilíneach | 914. 00 |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Maoin | Luach | Foinse Coinníoll |
Achar Dromchla Polar | 203 A2 | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ar fáil
1 H NMR
13 C NMR
Foinse Ráitis Ghuaise Cód | |
H302 Dochrach má shlogtar é | An Ghníomhaireacht Eorpach Ceimiceán (ECHA) Aicmiú agus Lipéadú Fardal - Aicmiú agus lipéadú ar tugadh fógra ina leith - na fógraí is coitianta, An Ghníomhaireacht Eorpach Ceimiceán (ECHA) Fardal Aicmithe&Lipéadaithe - Aicmiú agus lipéadú fógartha - na fógraí is tromchúisí |