![C41H49FN5O8P Zitidina, N-azetil-5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ – desoxi-2′ -fluoro-, 3′ – [2-zianoetil N,N-bis(1-metiletil)fosforo amidita] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C41H49FN5O8P Zitidina, N-azetil-5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ – desoxi-2′ -fluoro-, 3′ – [2-zianoetil N,N-bis(1-metiletil)fosforo amidita] (ACI)
CAS Erregistro Zenbakia
159414-99-0
| Ezaugarri fisiko nagusiak | Balioa | Baldintza |
| Pisu molekularra | 789,83 | - |
| pKa (Aurreikusita) | 10,11±0,20 | Tenperatura azidoena: 25 °C |
IRRIBARRE KANONIKOAK
N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=CC(= NC5=O)NC(=O)C)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](F)[C@@H](O1)N2C(=O)N=C(NC(C)=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C (OC)C=C4)C5=CC=CC=C5
InChI
InChI= 1S/C41H49FN5O8P/c1-27(2)47(28(3)4)56(53-25-11-23-43)55-38-35(54-39(37(38)42)46-24-22-36(44-29-29-54)(54-29-54) 41 (30-12-9-8-10-13-30, 31-14-18-33 (50-6) 19-15-31) 32-16-20-34 (51-7) 21-17-32 / h8-10, 12-22, 24, 27-28, 35, 37-39 H, 11, 25-26 H2, 1-7 H3, (H, 44, 45, 48, 49) / t35-, 37-, 38-, 39-, 56? / m1 / s1
InChI gakoa
CNFKJHKDSRXNFL-UTXREMQHSA-N
Substantzia honen beste izen bat
Zitidina,N-azetil-5′-O- [bis(4-metoxifenil)fenilmetil]-2′-desoxi-2′-fluoro-, 3′-[2-zianoetil bis(1-metiletil)fosforo amidita] (9CI)
Espektroak eskuragarri
Meza
Eskuragarri dauden propietateak
Biologikoa
Kimikoa
Lipinski
Egitura erlazionatua
| Jabetza | Balioa | Baldintza | Iturria |
| Biokontzentrazio faktorea | 8,60 | pH 1; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 90.3 | pH 2; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 3940 | pH 3; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 39100 | pH 4; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 64300 | pH 5; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 68100 | pH 6; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 68300 | pH 7; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 66800 | pH 8; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 54300 | pH 9; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 19200 | 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 | 12.6 | pH 1; Tenperatura: 25 °C | (1) ACD |
| Koc | 133 | pH 2; Tenperatura: 25 °C | (1) ACD |
| Koc | 5790 | pH 3; Tenperatura: 25 °C | (1) ACD |
| Koc | 57400 | pH 4; Tenperatura: 25 °C | (1) ACD |
| Koc | 94500 | pH 5; Tenperatura: 25 °C | (1) ACD |
| Koc | 1.00 x 105 | pH 6; Tenperatura: 25 °C | (1) ACD |
| Koc | 1.00 x 105 | pH 7; Tenperatura: 25 °C | (1) ACD |
| Koc | 98200 | pH 8; Tenperatura: 25 °C | (1) ACD |
| Koc | 79700 | pH 9; Tenperatura: 25 °C | (1) ACD |
| Koc | 28200 | pH 10; Tenperatura: 25 °C | (1) ACD |
| Jabetza | Balioa | Baldintza | Iturria |
| logD | 2,76 | pH 1; Tenperatura: 25 °C | (1) ACD |
| logD | 3,79 | pH 2; Tenperatura: 25 °C | (1) ACD |
| logD | 5.43 | pH 3; Tenperatura: 25 °C | (1) ACD |
| logD | 6.42 | pH 4; Tenperatura: 25 °C | (1) ACD |
| logD | 6.64 | pH 5; Tenperatura: 25 °C | (1) ACD |
| logD | 6,66 | pH 6; Tenperatura: 25 °C | (1) ACD |
| logD | 6,66 | pH 7; Tenperatura: 25 °C | (1) ACD |
| logD | 6,65 | pH 8; Tenperatura: 25 °C | (1) ACD |
| logD | 6.56 | pH 9; Tenperatura: 25 °C | (1) ACD |
| logD | 6.11 | pH 10; Tenperatura: 25 °C | (1) ACD |
| logP | 6,666±0,764 | Tenperatura: 25 °C | (1) ACD |
| Masaren berezko disolbagarritasuna | 4,5 x 10-5 g/L | Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 0,36 g/L | pH 1; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 0,035 g/L | pH 2; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 7,90 x 10-4 g/L | pH 3; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 7,9 x 10-5 g/L | pH 4; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 4,8 x 10-5 g/L | pH 5; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 4,6 x 10-5 g/L | pH 6; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 4,6 x 10-5 g/L | pH 7; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 4,7 x 10-5 g/L | pH 8; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 5,7 x 10-5 g/L | pH 9; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 1,6 x 10-4 g/L | pH 10; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 4,6 x 10-5 g/L | Tamperatu gabeko ura pH 7.00; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molar intrintsekoa | 5,7 x 10-8 mol/L | Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 4,6 x 10-4 mol/L | pH 1; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 4,4 x 10-5 mol/L | pH 2; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,00 x 10-6 mol/L | pH 3; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,0 x 10-7 mol/L | pH 4; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 6,1 x 10-8 mol/L | pH 5; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 5,8 x 10-8 mol/L | pH 6; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 5,8 x 10-8 mol/L | pH 7; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 5,9 x 10-8 mol/L | pH 8; Tenperatura: 25 °C | (1) ACD |
| Jabetza | Balioa | Baldintza | Iturria |
| Disolbagarritasun molarra | 7,2 x 10-8 mol/L | pH 9; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 2,0 x 10-7 mol/L | pH 10; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 5,8 x 10-8 mol/L | Tamperatu gabeko ura pH 7.00; Tenperatura: 25 °C | (1) ACD |
| Pisu molekularra | 789,83 | ||
| pKa | 10,11±0,20 | Tenperatura azidoena: 25 °C | (1) ACD |
| pKa | 3,57 ± 0,20 | Oinarrizko tenperatura: 25 °C | (1) ACD |
(1) Advanced Chemistry Development (ACD/Labs) Software V11.02 erabiliz kalkulatua (© 1994-2023 ACD/Labs)
| Jabetza | Balioa | Baldintzaren iturria |
| Azalera polarra | 158 A2 | (1) ACD |
(1) Advanced Chemistry Development (ACD/Labs) Software V11.02 erabiliz kalkulatua (© 1994-2023 ACD/Labs)
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