![C47H51FN7O7P Adenosina, N-benzoil-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)
![C47H51FN7O7P Adenosina, N-benzoil-5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ – desoxi-2′ -fluoro-, 3′ – [2-zianoetil N,N-bis(1-metiletil)fosforo amidita] (ACI) Irudi nabarmena](https://cdn.globalso.com/nvchem/C47H51FN7O7P-Adenosine.png)
C47H51FN7O7P Adenosina, N-benzoil-5′ -O- [bis(4-metoxifenil)fenilmetil]-2′ – desoxi-2′ -fluoro-, 3′ – [2-zianoetil N,N-bis(1-metiletil)fosforo amidita] (ACI)
CAS Erregistro Zenbakia
136834-22-5
| Ezaugarri fisiko nagusiak | Balioa | Baldintza |
| Pisu molekularra | 875,92 | - |
| pKa (Aurreikusita) | 7,87 ± 0,43 | 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= NC=6C(= NC= NC65)NC(=O)C=7C=CC=CC7) 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=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/C47H51FN7O7P/c1-31(2)55(32(3)4)63(60-27-13-26-49)62-42-39(61-46(40(42)48)54-30-52-41-43(51-45-45) )33-14-9-7-10-15-33)28-59-47(34-16-11-8-12-17-34,35-18-22-37(57) -5)23-19-35)36-20-24-38(58-6)25-21-36/h7-12,14-25,29-32,39-40,4 2,46H,13,27-28H2,1-6H3,(H,50,51,53,56)/t39-,40-,42-,46-,63?/m1/s1
InChI gakoa
VCCMVPDSLHFCBB-MSIRFHFKSA-N
Substantzia honen beste izen bat
Adenosina,N-bentzoil-5′-O- [bis(4-metoxifenil)fenilmetil]-2′-desoxi-2′-fluoro-, 3′-[2-zianoetil bis(1-metiletil)fosforo amidita] (9CI)
Eskuragarri dauden propietateak
Biologikoa
Kimikoa
Lipinski
Egitura erlazionatua
| Jabetza | Balioa | Baldintza | Iturria |
| Biokontzentrazio faktorea | 6590 | pH 1; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 1,76 × 105 | 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 | 3,43 × 105 | pH 9; Tenperatura: 25 °C | (1) ACD |
| Biokontzentrazio faktorea | 99100 | pH 10; Tenperatura: 25 °C | (1) ACD |
(1) Advanced Chemistry Development (ACD/Labs) Software V11.02 erabiliz kalkulatua (© 1994-2023 ACD/Labs)
| Jabetzaren balioaren baldintzaren iturria |
| Koc 2590 pH 1; Tenperatura: 25 °C (1) ACD |
| Koc 69100 pH 2; Tenperatura: 25 °C (1) ACD |
| Koc 6,96 x 105 pH 3; Tenperatura: 25 °C (1) ACD |
| Koc 2,16 x 106 pH 4; Tenperatura: 25 °C (1) ACD |
| Koc 2,70 x 106 pH 5; Tenperatura: 25 °C (1) ACD |
| Koc 2,71 x 106 pH 6; Tenperatura: 25 °C (1) ACD |
| Koc 2,23 x 106 pH 7; Tenperatura: 25 °C (1) ACD |
| Koc 8,20 x 105 pH 8; Tenperatura: 25 °C (1) ACD |
| Koc 1,35 x 105 pH 9; Tenperatura: 25 °C (1) ACD |
| Koc 39000 pH 10; Tenperatura: 25 °C (1) ACD |
| logD 6,29 pH 1; Tenperatura: 25 °C (1) ACD |
| logD 7,71 pH 2; Tenperatura: 25 °C (1) ACD |
| Jabetza | Balioa | Baldintza | Iturria |
| logD | 8,71 | pH 3; Tenperatura: 25 °C | (1) ACD |
| logD | 9.20 | pH 4; Tenperatura: 25 °C | (1) ACD |
| logD | 9.30 | pH 5; Tenperatura: 25 °C | (1) ACD |
| logD | 9.30 | pH 6; Tenperatura: 25 °C | (1) ACD |
| logD | 9.22 | pH 7; Tenperatura: 25 °C | (1) ACD |
| logD | 8,79 | pH 8; Tenperatura: 25 °C | (1) ACD |
| logD | 8.00 | pH 9; Tenperatura: 25 °C | (1) ACD |
| logD | 7.46 | pH 10; Tenperatura: 25 °C | (1) ACD |
| logP | 9,317 ± 0,714 | Tenperatura: 25 °C | (1) ACD |
| Masaren berezko disolbagarritasuna | 3,4 x 10-6 g/L | Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 3,6 x 10-3 g/L | pH 1; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 1,3 x 10-4 g/L | pH 2; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 1,3 x 10-5 g/L | pH 3; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 4,3 x 10-6 g/L | pH 4; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 3,4 x 10-6 g/L | pH 5; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 3,4 x 10-6 g/L | pH 6; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 4,1 x 10-6 g/L | pH 7; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 1,1 x 10-5 g/L | pH 8; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 6,9 x 10-5 g/L | pH 9; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 2,5 x 10-4 g/L | pH 10; Tenperatura: 25 °C | (1) ACD |
| Masa-disolbagarritasuna | 4,1 x 10-6 g/L | Tamperatu gabeko ura pH 7.00; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molar intrintsekoa | 3,9 x 10-9 mol/L | Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 4,1 x 10-6 mol/L | pH 1; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,5 x 10-7 mol/L | pH 2; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,5 x 10-8 mol/L | pH 3; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 4,9 x 10-9 mol/L | pH 4; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 3,9 x 10-9 mol/L | pH 5; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 3,9 x 10-9 mol/L | pH 6; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 4,7 x 10-9 mol/L | pH 7; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 1,3 x 10-8 mol/L | pH 8; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 7,9 x 10-8 mol/L | pH 9; Tenperatura: 25 °C | (1) ACD |
| Disolbagarritasun molarra | 2,8 x 10-7 mol/L | pH 10; Tenperatura: 25 °C | (1) ACD |
| Jabetza | Balioa | Baldintza | Iturria |
| Disolbagarritasun molarra | 4,7 x 10-9 mol/L | Tamperatu gabeko ura pH 7.00; Tenperatura: 25 °C | (1) ACD |
| Pisu molekularra | 875,92 | ||
| 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 | 18 | (1) ACD | |
| H hartzailea | 14 | (1) ACD | |
| H Emaileak | 1 | (1) ACD | |
| H Emaile/Hartzaile Batura | 15 | (1) ACD | |
| logP | 9,317 ± 0,714 | Tenperatura: 25 °C | (1) ACD |
| Pisu molekularra | 875,92 |
(1) Advanced Chemistry Development (ACD/Labs) Software V11.02 erabiliz kalkulatua (© 1994-2023 ACD/Labs)
| Jabetza | Balioa | Baldintzaren iturria |
| Azalera polarra | 169 A2 | (1) ACD |
(1) Advanced Chemistry Development (ACD/Labs) Software V11.02 erabiliz kalkulatua (© 1994-2023 ACD/Labs)
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