C45H56N7O9P Guanosina, 5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ -O-metil- N-(2-metil-1-oxopropil)-, 3′ – [2-zianoetil N,N-bis(1-metiletil) fosforamidita] (ACI)
CAS Erregistro Zenbakia
150780-67-9
H303
| Ezaugarri fisiko nagusiak | Balioa | Baldintza |
| Pisu molekularra | 869,94 | - |
| pKa (Aurreikusita) | 9,16 ± 0,20 | Tenperatura azidoena: 25 °C |
N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OC)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)N(C(C)C)C(C)C
IRRIBARRE ISOMERIKOAK
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OC)[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/C45H56N7O9P/c1-28(2)41(53)49-44-48-40-37(42(54)50-44)47-27-51(40)43-39(57-9)38(61-62-13-25-13-24)
46)52(29(3)4)30(5)6)36(60-43)26-58-45(31-14-11-10-12-15-31,32-16-20-34(55-7)21-17-32)33-18-22-35(56-8)23-19-33/h10-12,14-23,27 -30,36,38-39,43H,13,25-26H2,1-9H3,(H2,48,49,50,53,54)/t36-,38-,39-,43-,62?/m1/s1
InChI gakoa
IRRDHRZUOZNWDJ-MLLDKZSOSA-N
Substantzia honen beste izen bat
Guanosina, 5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ -O-metil-N-(2-metil-1-oxopropil)-, 3′ - [2-zianoetil bis(1-metiletil) fosforamidita] (9CI)
Espektroak eskuragarri
13C NMR
Hetero EMN
Eskuragarri dauden propietateak
Biologikoa
Kimikoa
Lipinski
Egitura erlazionatua
| Jabetza | Balioa | Baldintza | Iturria |
| Biokontzentrazio faktorea | 183 | pH 1; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 3890 | pH 2; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 35500 | pH 3; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 1,08 × 105 | pH 4; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 1,36 × 105 | pH 5; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 1,39 × 105 | pH 6; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 1,38 × 105 | pH 7; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 1,24 × 105 | pH 8; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 63600 | pH 9; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 11900 | pH 10; Tenperatura: 25 °C | (1) ACD |
(1) Advanced Chemistry Development (ACD/Labs) Software V11.02 erabiliz kalkulatua (© 1994-2023 ACD/Labs)
| Jabetza | Balioa | Baldintza | Iturria |
| Koc | 220 | pH 1; Tenperatura: 25 °C | (1) ACD |
| Koc | 4680 | pH 2; Tenperatura: 25 °C | (1) ACD |
| Koc | 42600 | pH 3; Tenperatura: 25 °C | (1) ACD |
| Koc | 1,30 x 105 | pH 4; Tenperatura: 25 °C | (1) ACD |
| Koc | 1,63 × 105 | pH 5; Tenperatura: 25 °C | (1) ACD |
| Koc | 1,67 × 105 | pH 6; Tenperatura: 25 °C | (1) ACD |
| Koc | 1,65 x 105 | pH 7; Tenperatura: 25 °C | (1) ACD |
| Koc | 1,49 x 105 | pH 8; Tenperatura: 25 °C | (1) ACD |
| Jabetza | Balioa | Baldintza | Iturria |
| Koc | 76400 | pH 9; Tenperatura: 25 °C | (1) ACD |
| Koc | 14200 | pH 10; Tenperatura: 25 °C | (1) ACD |
| logD | 4.19 | pH 1; Tenperatura: 25 °C | (1) ACD |
| logD | 5.52 | pH 2; Tenperatura: 25 °C | (1) ACD |
| logD | 6.48 | pH 3; Tenperatura: 25 °C | (1) ACD |
| logD | 6,96 | pH 4; Tenperatura: 25 °C | (1) ACD |
| logD | 7.06 | pH 5; Tenperatura: 25 °C | (1) ACD |
| logD | 7.07 | pH 6; Tenperatura: 25 °C | (1) ACD |
| logD | 7.07 | pH 7; Tenperatura: 25 °C | (1) ACD |
| logD | 7.02 | pH 8; Tenperatura: 25 °C | (1) ACD |
| logD | 6,73 | pH 9; Tenperatura: 25 °C | (1) ACD |
| logD | 6.00 | pH 10; Tenperatura: 25 °C | (1) ACD |
| logP | 7,072 ± 0,721 | Tenperatura: 25 °C | (1) ACD |
| Masaren berezko disolbagarritasuna | 1,2 x 10-4 g/L | Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 0,096 g/L | pH 1; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 4,3 x 10-3 g/L | pH 2; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 4,8 x 10-4 g/L | pH 3; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 1,6 x 10-4 g/L | pH 4; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 1,2 x 10-4 g/L | pH 5; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 1,2 x 10-4 g/L | pH 6; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 1,2 x 10-4 g/L | pH 7; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 1,4 x 10-4 g/L | pH 8; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 2,7 x 10-4 g/L | pH 9; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 1,4 x 10-3 g/L | pH 10; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 1,2 x 10-4 g/L | Tamperatu gabeko ura pH 7.00; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molar intrintsekoa | 1,4 x 10-7 mol/L | Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,1 x 10-4 mol/L | pH 1; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 5,0 x 10-6 mol/L | pH 2; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 5,5 x 10-7 mol/L | pH 3; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,8 x 10-7 mol/L | pH 4; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,4 x 10-7 mol/L | pH 5; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,4 x 10-7 mol/L | pH 6; Tenperatura: 25 °C | (1) ACD |
| Jabetza | Balioa | Baldintza | Iturria |
| Disolbagarritasun molarra | 1,4 x 10-7 mol/L | pH 7; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,6 x 10-7 mol/L | pH 8; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 3,1 x 10-7 mol/L | pH 9; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,6 x 10-6 mol/L | pH 10; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,4 x 10-7 mol/L | Tamperatu gabeko ura pH 7.00; Tenperatura: 25 °C | (1) ACD |
| Pisu molekularra | 869,94 | ||
| pKa | 9,16 ± 0,20 | Tenperatura azidoena: 25 °C | (1) ACD |
| pKa | 3,45 ± 0,70 | Oinarrizko tenperatura: 25 °C | (1) ACD |
(1) Advanced Chemistry Development (ACD/Labs) Software V11.02 erabiliz kalkulatua (© 1994-2023 ACD/Labs)
| Jabetza | Balioa | Baldintza | Iturria |
| Libreki bira daitezkeen bonuak | 19 | (1) ACD | |
| H hartzailea | 16 | (1) ACD | |
| H Emaileak | 2 | (1) ACD | |
| H Emaile/Hartzaile Batura | 18 | (1) ACD | |
| logP | 7,072 ± 0,721 | Tenperatura: 25 °C | (1) ACD |
| Pisu molekularra | 869,94 |
(1) Advanced Chemistry Development (ACD/Labs) Software V11.02 erabiliz kalkulatua (© 1994-2023 ACD/Labs)
| Jabetza | Balioa | Baldintzaren iturria |
| Azalera polarra | 194 A2 | (1) ACD |
(1) Advanced Chemistry Development (ACD/Labs) Software V11.02 erabiliz kalkulatua (© 1994-2023 ACD/Labs)
Espektroak eskuragarri
1H NMR
13C NMR
| Kodea | Arrisku Adierazpena | Iturria |
| H303 | Kaltegarria izan daiteke irentsiz gero | Adituen aukeraketa |
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