C43H55N4O10P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1- i-methylethyl)phosphor amidite] (ACI)
Inombolo Yokubhalisa ye-CAS
163878-63-5
H302
Izici Zomzimba Eziyinhloko | Inani | Isimo |
Isisindo samangqamuzana | 818.89 | - |
pKa (Kubikezelwe) | 9.55±0.10 | Izinga Le-Acidic Elikhulu: 25 °C |
I-Canonical SMILES
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
I-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
I-InChI
I-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
Ukhiye we-InchI
YFRRKZDUDXHJNC-KZQAAKLLSA-N
17 Amanye Amagama Alesi Sitho
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 IKHASI: Abangu-18 bafuna i-RNA; 11: PN: US20030211606 IKHASI: Abangu-18 bafuna i-RNA; 13: PN: US20040
005569 IKHASI: Ama-21 afuna i-RNA; 13: PN: US20040006030 IKHASI: Abangu-22 bafuna i-RNA; 13: PN: US20040014048 IKHASI: Abangu-19 bafuna i-RNA; 13: PN: US20040014049 IKHASI: Abangu-19 bafuna i-RNA; 14: PN: US20030198965 IKHASI: Abangu-19 bafuna i-RNA; 14: PN: US20040005565 IKHASI: 17- 22 bafuna i-RNA; 14: PN: US20040005570 IKHASI: Abangu-19 bafuna i-RNA; 14: PN: US20040014047 IKHASI: Abangu-19 bafuna i-RNA; 14: PN: US20040
014699 IKHASI: Abangu-19 abafunwa i-RNA; 15: PN: US20040014050 IKHASI: Abangu-19 bafuna i-RNA; 15: PN: US20040014051 IKHASI: Abangu-21 bafuna i-RNA; 15:
PN: WO03106645 IKHASI: Abangu-69 abafunwa i-RNA; 16: PN: US20040006029 IKHASI: Abangu-22 bafuna i-RNA; 87: PN: US20040005707 IKHASI: 19 okufunwa i-RNA
I-Spectra iyatholakala
1 H NMR
13 C NMR
I-Hetero NMR
Izakhiwo ezitholakalayo
I-Biological
Amakhemikhali
Lipinski
Okuhlobene Nesakhiwo
Impahla | Inani | Isimo | Umthombo |
I-Bioconcentration Factor | 348 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 2810 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 21100 | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 63100 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 78800 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 80800 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 80800 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 78800 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 63400 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 21800 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Impahla | Inani | Isimo | Umthombo |
Koc | 487 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 3940 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 29600 | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 88400 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
Impahla | Inani | Isimo | Umthombo |
Koc | 1.10 x 105 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 1.13 x 105 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 1.13 x 105 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 1.10 x 105 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 88800 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 30600 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
logD | 4.39 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
logD | 5.30 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
logD | 6.18 | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
logD | 6.65 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
logD | 6.75 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
logD | 6.76 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
logD | 6.76 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
logD | 6.75 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
logD | 6.65 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
logD | 6.19 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
logP | 6.761±0.669 | Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Intrinsic Solubility | 2.0 x 10-4 g/L | Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 0.046 g/L | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 5.7 x 10-3 g/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 7.6 x 10-4 g/L | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 2.5 x 10-4 g/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 2.0 x 10-4 g/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 2.0 x 10-4 g/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 2.0 x 10-4 g/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 2.0 x 10-4 g/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 2.5 x 10-4 g/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 7.4 x 10-4 g/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 2.0 x 10-4 g/L | Amanzi Angavinjelwe pH 7.00; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Intrinsic Solubility | 2.4 x 10-7 mol/L | Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 5.6 x 10-5 mol/L | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 7.0 x 10-6 mol/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
Impahla | Inani | Isimo | Umthombo |
I-Molar Solubility | 9.3 x 10-7 mol/L | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 3.1 x 10-7 mol/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 2.5 x 10-7 mol/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 2.4 x 10-7 mol/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 2.4 x 10-7 mol/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 2.5 x 10-7 mol/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 3.1 x 10-7 mol/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 9.0 x 10-7 mol/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 2.4 x 10-7 mol/L | Amanzi Angavinjelwe pH 7.00; Izinga lokushisa: 25 °C | (1) ACD |
Isisindo samangqamuzana | 818.89 | ||
pKa | 9.55±0.10 | Izinga Le-Acidic Elikhulu: 25 °C | (1) ACD |
pKa | 3.45±0.70 | Izinga Lokushisa Eziyisisekelo: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Impahla | Inani | Isimo | Umthombo |
Amabhondi Ashintshashintshayo Ngokukhululekile | 21 | (1) ACD | |
H Abamukelayo | 14 | (1) ACD | |
H Abanikeli | 1 | (1) ACD | |
H Isamba Somnikeli/Umamukeli | 15 | (1) ACD | |
logP | 6.761±0.669 | Izinga lokushisa: 25 °C | (1) ACD |
Isisindo samangqamuzana | 818.89 |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Impahla | Inani | Umthombo Wesimo |
Indawo ye-Polar Surface | 164 A2 | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Spectra iyatholakala
1 H NMR
13 C NMR
Umthombo Wesitatimende Sengozi Yekhodi | |
H302 Iyingozi uma igwinywe | I-European Chemical Agency (ECHA) Classification&Labelling I-Inventory - Izigaba ezaziswe nokulebula - izaziso ezivame kakhulu, i-European Chemical Agency (ECHA) Ukuhlelwa Nokufakwa Kwelebula - Izigaba ezaziswe nokulebula - izaziso ezibucayi kakhulu |