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 ndekọ CAS
163878-63-5
H302
Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
Ibu molekụla | 818.89 | - |
pKa (buru amụma) | 9.55±0.10 | Okpomọkụ kachasị acidic: 25 Celsius |
Ọchịchị Canonical
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
Igodo InChi
YFRRKZDUDXHJNC-KZQAAKLLSA-N
17 Aha ndị ọzọ maka ihe a
Uridine, 5 '-O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -O(2-methoxyethyl) - 5-methyl-, 3′ - [2-cyanoethyl bis (1-methylethyl) phosphor.
amide] (9CI); 10: PN: US20030212017 PEEJI: 18 kwuru RNA; 11: PN: US20030211606 PEEJI: 18 kwuru RNA; 13: PN: US20040
005569 PEEJI: 21 RNA kwuru; 13: PN: US20040006030 PEEJI: 22 kwuru RNA; 13: PN: US20040014048 PEEJI: 19 kwuru RNA; 13: PN: US20040014049 PEEJI: 19 kwuru RNA; 14: PN: US20030198965 PEEJI: 19 kwuru RNA; 14: PN: US20040005565 PEEJI: 17- 22 kwuru RNA; 14: PN: US20040005570 PEEJI: 19 kwuru RNA; 14: PN: US20040014047 PEEJI: 19 kwuru RNA; 14: PN: US20040
014699 PEEJI: 19 RNA kwuru; 15: PN: US20040014050 PEEJI: 19 kwuru RNA; 15: PN: US20040014051 PEEJI: 21 kwuru RNA; 15:
PN: WO03106645 PEEJI: 69 kwuru RNA; 16: PN: US20040006029 PEEJI: 22 kwuru RNA; 87: PN: US20040005707 PEEJI: 19 kwuru RNA
Spectra dị
1H NMR
13C NMR
Hetero NMR
Ngwongwo dị
Usoro ndu
Chemical
Lipinski
Ọdịdị metụtara
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Ihe kpatara bioconcentration | 348 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 2810 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 21100 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 63100 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 78800 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 80800 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 80800 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 78800 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 63400 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 21800 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Koc | 487 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 3940 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 29600 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 88400 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Koc | 1.10 x 105 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 1.13 x 105 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 1.13 x 105 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 1.10 x 105 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 88800 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 30600 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.39 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 5.30 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 6.18 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 6.65 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 6.75 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 6.76 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 6.76 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 6.75 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 6.65 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 6.19 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
logP | 6.761± 0.669 | Okpomọkụ: 25 Celsius C | (1) ACD |
Ọkachamara Solubility dị n'ime | 2.0 x 10-4 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 0.046 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 5.7 x 10-3 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 7.6 x 10-4 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 2.5 x 10-4 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 2.0 x 10-4 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 2.0 x 10-4 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 2.0 x 10-4 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 2.0 x 10-4 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 2.5 x 10-4 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 7.4 x 10-4 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 2.0 x 10-4 g/L | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility dị n'ime Molar | 2.4 x 10-7 mol / l | Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 5.6 x 10-5 mol / l | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 7.0 x 10-6 mol/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Solubility Molar | 9.3 x 10-7 mol/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 3.1 x 10-7 mol/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 2.5 x 10-7 mol / l | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 2.4 x 10-7 mol / l | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 2.4 x 10-7 mol / l | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 2.5 x 10-7 mol / l | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 3.1 x 10-7 mol/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 9.0 x 10-7 mol/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 2.4 x 10-7 mol / l | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
Ibu molekụla | 818.89 | ||
pKa | 9.55±0.10 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
pKa | 3.45± 0.70 | Okpomọkụ kachasị mma: 25 Celsius | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Nkwekọrịta na-agbanwe agbanwe n'efu | 21 | (1) ACD | |
H Ndị nnabata | 14 | (1) ACD | |
H Ndị na-enye onyinye | 1 | (1) ACD | |
H Donor/Anabata Nchikota | 15 | (1) ACD | |
logP | 6.761± 0.669 | Okpomọkụ: 25 Celsius C | (1) ACD |
Ibu molekụla | 818.89 |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ngwongwo | Uru | Isi mmalite ọnọdụ |
Mpaghara elu elu | 164 A2 | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra dị
1H NMR
13C NMR
Isi mmalite nkwupụta egwu koodu | |
H302 na-emerụ ma ọ bụrụ na iloro ya | European Chemical Agency (ECHA) nhazi ọkwa na akara aha Ndepụta Ngwaahịa - Nhazi ọkwa na ntinye aha - ọkwa kachasị, European Chemical Agency (ECHA) Nhazi&Ngwakọta aha - Nhazi ọkwa na ntinye aha - ọkwa kacha njọ |