C43H55N4O10P Uridine, 5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2' -O- (2-methox yethyl) - 5-methyl-, 3'- [2-cyanoethyl N, N-bis (1-) methylethyl) phosphor amidite] (ACI)
Nọmba iforukọsilẹ CAS
163878-63-5
H302
Key Properties Properties | Iye | Ipo |
Òṣuwọn Molikula | 818.89 | - |
pKa (Asọtẹlẹ) | 9.55± 0.10 | Pupọ Epo otutu: 25 °C |
Ẹ̀RẸ̀ KẸ̀LẸ̀
N#CCCOP(OC1C(OC(N2C=C(C(=O))NC2=O)C)C1OCCOC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5= CC=C(OC)C=C5)N(C(C)C)C(C)C
ISOMERIC SMILES
C(OC[C@H] 1[C@@H] (OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@ H](O1)N2C(=O)NC(=O)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5= CC=CC=C5
InChi
InChi = 1S/C43H55N4O10P/c1-29(2)47(30(3)4)58(55-24-12-23-44)57-38-37(56-41(39(38)53-26- 25-50-6)46-27-31(5)40(48)45-42(46)49)2 8-54-43(32-13-10-9-11-14-32,33-15) -19-35 (51-7)20-16-33)34-17-21-36(52-8)22-18-34/h9-11,13-22,27,29-30,37-39 ,41H,12,24-26,28H2, 1-8H3,(H,45,48,49)/t37-,38-,39-,41-,58?/m1/s1
InChi Key
YFRRKZDUDXHJNC-KZQAAKLLSA-N
17 Awọn orukọ miiran fun nkan yii
Uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O(2-methoxyethyl) - 5-methyl-, 3′- [2-cyanoethyl bis (1-methylethyl) phosphor
amidite] (9CI); 10: PN: US20030212017 EWE: 18 so RNA; 11: PN: US20030211606 EWE: 18 so RNA; 13: PN: US20040
005569 OJU: 21 ti o ni ẹtọ RNA; 13: PN: US20040006030 OJU: 22 ti o ni ẹtọ RNA; 13: PN: US20040014048 OJU: 19 ti o ni ẹtọ RNA; 13: PN: US20040014049 OJU: 19 ti o ni ẹtọ RNA; 14: PN: US20030198965 OJU: 19 beere RNA; 14: PN: US20040005565 EWE: 17- 22 ti o ni ẹtọ RNA; 14: PN: US20040005570 EWE: 19 so RNA; 14: PN: US20040014047 EWE: 19 so RNA; 14: PN: US20040
014699 EWE: 19 ti o ni ẹtọ RNA; 15: PN: US20040014050 EWE: 19 so RNA; 15: PN: US20040014051 OJU: 21 ti o ni ẹtọ RNA; 15:
PN: WO03106645 EWE: 69 so RNA; 16: PN: US20040006029 OJU: 22 ti o ni ẹtọ RNA; 87: PN: US20040005707 OJU: 19 ti o ni ẹtọ RNA
Spectra wa
1 H NMR
13 C NMR
Hetero NMR
Awọn ohun-ini ti o wa
Ti ibi
Kemikali
Lipinski
Ilana Jẹmọ
Ohun ini | Iye | Ipo | Orisun |
Bioconcentration ifosiwewe | 348 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 2810 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 21100 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 63100 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 78800 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 80800 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 80800 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 78800 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 63400 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 21800 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ohun ini | Iye | Ipo | Orisun |
Koc | 487 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
Koc | 3940 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
Koc | 29600 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
Koc | 88400 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
Ohun ini | Iye | Ipo | Orisun |
Koc | 1.10 x 105 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
Koc | 1.13 x 105 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
Koc | 1.13 x 105 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
Koc | 1.10 x 105 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
Koc | 88800 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
Koc | 30600 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
logD | 4.39 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
logD | 5.30 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
logD | 6.18 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
logD | 6.65 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
logD | 6.75 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
logD | 6.76 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
logD | 6.76 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
logD | 6.75 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
logD | 6.65 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
logD | 6.19 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
logP | 6.761± 0.669 | Iwọn otutu: 25 °C | (1) ACD |
Ibi Isoju Agbekale | 2.0 x 10-4 g/L | Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 0.046 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 5.7 x 10-3 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 7.6 x 10-4 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 2,5 x 10-4 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 2.0 x 10-4 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 2.0 x 10-4 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 2.0 x 10-4 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 2.0 x 10-4 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 2,5 x 10-4 g/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 7,4 x 10-4 g/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 2.0 x 10-4 g/L | Omi ti a ko fi silẹ pH 7.00; Iwọn otutu: 25 °C | (1) ACD |
Solubility Inu inu Molar | 2.4 x 10-7 mol/L | Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 5.6 x 10-5 mol/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 7.0 x 10-6 mol/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
Ohun ini | Iye | Ipo | Orisun |
Solubility Molar | 9.3 x 10-7 mol/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 3.1 x 10-7 mol/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 2.5 x 10-7 mol/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 2.4 x 10-7 mol/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 2.4 x 10-7 mol/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 2.5 x 10-7 mol/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 3.1 x 10-7 mol/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 9.0 x 10-7 mol/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 2.4 x 10-7 mol/L | Omi ti a ko fi silẹ pH 7.00; Iwọn otutu: 25 °C | (1) ACD |
Òṣuwọn Molikula | 818.89 | ||
pKa | 9.55± 0.10 | Pupọ Epo otutu: 25 °C | (1) ACD |
pKa | 3,45 ± 0,70 | Pupọ Ipilẹ otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ohun ini | Iye | Ipo | Orisun |
Larọwọto Rotatable Bonds | 21 | (1) ACD | |
H Awọn olugba | 14 | (1) ACD | |
H Awọn oluranlọwọ | 1 | (1) ACD | |
H Oluranlọwọ / Olugba Apapọ | 15 | (1) ACD | |
logP | 6.761± 0.669 | Iwọn otutu: 25 °C | (1) ACD |
Òṣuwọn Molikula | 818.89 |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ohun ini | Iye | Orisun ipo |
Pola dada Area | 164 A2 | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra wa
1 H NMR
13 C NMR
Orisun Gbólóhùn Ewu koodu | |
H302 Ipalara ti o ba gbe | Ile-iṣẹ Kemikali ti Yuroopu (ECHA) Isọdi& Aami aami Oja - Isọdi iwifunni ati isamisi - awọn iwifunni ti o wọpọ julọ, Ile-iṣẹ Kemikali Yuroopu (ECHA) Isọsọ-sọtọ&Oja Ifipamọ - Isọdi ti iwifunni ati isamisi - awọn iwifunni to ṣe pataki julọ |