![C53H66N7O8PSi CAS zk.: 104992-55-4 Adenosina, N-bentzoil-5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ – O- [(1,1-dimetiletil)dimetilsilil]-, 3′ – [2-zianoetil N,N-bis(1-metiletil)fosforamidita] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C53H66N7O8PSi CAS zk.: 104992-55-4 Adenosina, N-bentzoil-5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ – O- [(1,1-dimetiletil)dimetilsilil]-, 3′ – [2-zianoetil N,N-bis(1-metiletil)fosforamidita] (ACI) Irudi nabarmena](https://www.csnvchem.com/uploads/C53H66N7O8PSi.png)
C53H66N7O8PSi CAS zk.: 104992-55-4 Adenosina, N-bentzoil-5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ – O- [(1,1-dimetiletil)dimetilsilil]-, 3′ – [2-zianoetil N,N-bis(1-metiletil)fosforamidita] (ACI)
CAS Erregistro Zenbakia
104992-55-4
| Ezaugarri fisiko nagusiak | Balioa | Baldintza |
| Pisu molekularra | 988,19 | - |
| pKa (Aurreikusita) | 7,87 ± 0,43 | Tenperatura azidoena: 25 °C |
IRRIBARRE KANONIKOAK
N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1O[Si](C)(C)C(C)(C)C)COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7= CC=C(OC)C=C7)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](O[Si](C(C)(C)C)(C)C)[C@@H](O1)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4) N=CN3)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
InChI
InChI= 1S/C53H66N7O8PSi/c1-36(2)60(37(3)4)69(65-32-18-31-54)67-46-44(33-64-53(39-21-16-13-17-22-39,40-28-42-42) )41-25-29-43(63-9)30-26-41)66-51(47(46)68-70(10,11)52(5,6)7)59-35-57-45-48(55-34-56-49(45)59)58-50(61)38-19-14-12-15-20-38/h1 2-17,19-30,34-37,44,46-47,51H,18,32-33H2,1-11H3,(H,55,56,58,61)/t44-,46-,47-,51-,69?/m1/s1
InChI gakoa
FFXHNCNNHASXCT-RFMFGJHUSA-N
Substantzia honen beste izen bat
Adenosina,N-bentzoil-5′-O- [bis(4-metoxifenil)fenilmetil]-2′ -O- [(1,1-dimetiletil)dimetilsilil]-, 3′ - [2-zianoetil bis(1-metiletil)fosforamidita] (9CI)
Espektroak eskuragarri
Meza
Eskuragarri dauden propietateak
Biologikoa
Kimikoa
Lipinski
Egitura erlazionatua
| Jabetza | Balioa | Baldintza | Iturria |
| Biokontzentrazio faktorea | 5,50 x 105 | pH 1; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 1.00 x 106 | pH 2; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 1.00 x 106 | pH 3; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 1.00 x 106 | pH 4; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 1.00 x 106 | pH 5; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 1.00 x 106 | pH 6; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 1.00 x 106 | pH 7; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 1.00 x 106 | pH 8; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 1.00 x 106 | pH 9; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 1.00 x 106 | 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 | 61500 | pH 1; Tenperatura: 25 °C | (1) ACD |
| Koc | 1,64 × 106 | pH 2; Tenperatura: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 3; Tenperatura: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 4; Tenperatura: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 5; Tenperatura: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 6; Tenperatura: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 7; Tenperatura: 25 °C | (1) ACD |
| Koc | 1.00 x 107 | pH 8; Tenperatura: 25 °C | (1) ACD |
| Koc | 3,20 × 106 | pH 9; Tenperatura: 25 °C | (1) ACD |
| Jabetza | Balioa | Baldintza | Iturria |
| Koc | 9,24 × 105 | pH 10; Tenperatura: 25 °C | (1) ACD |
| logD | 8,81 | pH 1; Tenperatura: 25 °C | (1) ACD |
| logD | 10.24 | pH 2; Tenperatura: 25 °C | (1) ACD |
| logD | 11.24 | pH 3; Tenperatura: 25 °C | (1) ACD |
| logD | 11,73 | pH 4; Tenperatura: 25 °C | (1) ACD |
| logD | 11,83 | pH 5; Tenperatura: 25 °C | (1) ACD |
| logD | 11,83 | pH 6; Tenperatura: 25 °C | (1) ACD |
| logD | 11,75 | pH 7; Tenperatura: 25 °C | (1) ACD |
| logD | 11.31 | pH 8; Tenperatura: 25 °C | (1) ACD |
| logD | 10.53 | pH 9; Tenperatura: 25 °C | (1) ACD |
| logD | 9,99 | pH 10; Tenperatura: 25 °C | (1) ACD |
| logP | 11,845 ± 0,715 | Tenperatura: 25 °C | (1) ACD |
| Masaren berezko disolbagarritasuna | 1,2 x 10-5 g/L | Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 3,5 x 10-3 g/L | pH 1; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 1,1 x 10-4 g/L | pH 2; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 9,9 x 10-6 g/L | pH 3; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 3,4 x 10-6 g/L | pH 4; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 2,7 x 10-6 g/L | pH 5; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 2,7 x 10-6 g/L | pH 6; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 3,2 x 10-6 g/L | pH 7; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 8,9 x 10-6 g/L | pH 8; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 6,3 x 10-5 g/L | pH 9; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 4,2 x 10-4 g/L | pH 10; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 3,2 x 10-6 g/L | Tamperatu gabeko ura pH 7.00; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molar intrintsekoa | 1,2 x 10-8 mol/L | Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 3,5 x 10-6 mol/L | pH 1; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,1 x 10-7 mol/L | pH 2; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,0 x 10-8 mol/L | pH 3; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 3,4 x 10-9 mol/L | pH 4; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 2,7 x 10-9 mol/L | pH 5; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 2,7 x 10-9 mol/L | pH 6; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 3,2 x 10-9 mol/L | pH 7; Tenperatura: 25 °C | (1) ACD |
| Jabetza | Balioa | Baldintza | Iturria |
| Disolbagarritasun molarra | 9,0 x 10-9 mol/L | pH 8; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 6,4 x 10-8 mol/L | pH 9; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 4,2 x 10-7 mol/L | pH 10; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 3,2 x 10-9 mol/L | Tamperatu gabeko ura pH 7.00; Tenperatura: 25 °C | (1) ACD |
| Pisu molekularra | 988,19 | ||
| pKa | 7,87 ± 0,43 | 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 | 21 | (1) ACD | |
| H hartzailea | 15 | (1) ACD | |
| H Emaileak | 1 | (1) ACD | |
| H Emaile/Hartzaile Batura | 16 | (1) ACD | |
| logP | 11,845 ± 0,715 | Tenperatura: 25 °C | (1) ACD |
| Pisu molekularra | 988,19 |
| Jabetza | Balioa | Baldintzaren iturria |
| Azalera polarra | 178 A2 | (1) ACD |
(1) Advanced Chemistry Development (ACD/Labs) Software V11.02 erabiliz kalkulatua (© 1994-2023 ACD/Labs)
Kimika Aurreratuaren Garapenerako (ACD/Labs) Softwarea V11.02 (© 1994-2023 ACD/Labs)
Espektroak eskuragarri
1H NMR
13C NMR
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