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)
Numera Resitala CAS
163878-63-5
H302
Meatotino Faaletino Autu | Taua | Tulaga |
Molecular Weight | 818.89 | - |
pKa (vala'aina) | 9.55±0.10 | Le Tele o le Asi Sua: 25 °C |
ATAITAU 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
InChI Ki
YFRRKZDUDXHJNC-KZQAAKLLSA-N
17 Isi Igoa mo lea mea
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 ITULAU: 18 fai mai RNA; 11: PN: US20030211606 ITULAU: 18 fai mai RNA; 13: PN: US20040
005569 ITULAU: 21 fai mai RNA; 13: PN: US20040006030 ITULAU: 22 fai mai RNA; 13: PN: US20040014048 ITULAU: 19 fai mai RNA; 13: PN: US20040014049 ITULAU: 19 fai mai RNA; 14: PN: US20030198965 ITULAU: 19 fai mai RNA; 14: PN: US20040005565 ITULAU: 17- 22 fai mai RNA; 14: PN: US20040005570 ITULAU: 19 fai mai RNA; 14: PN: US20040014047 ITULAU: 19 fai mai RNA; 14: PN: US20040
014699 ITULAU: 19 fai mai RNA; 15: PN: US20040014050 ITULAU: 19 fai mai RNA; 15: PN: US20040014051 ITULAU: 21 fai mai RNA; 15:
PN: WO03106645 ITULAU: 69 fai mai RNA; 16: PN: US20040006029 ITULAU: 22 fai mai RNA; 87: PN: US20040005707 ITULAU: 19 fai mai RNA
Spectra avanoa
1 H NMR
13 C NMR
Hetero NMR
Meatotino avanoa
Fa'aolaola
Kemisi
Lipinski
Fauga Faatatau
Meatotino | Taua | Tulaga | Punavai |
Bioconcentration Factor | 348 | pH 1; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 2810 | pH 2; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 21100 | pH 3; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 63100 | pH 4; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 78800 | pH 5; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 80800 | pH 6; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 80800 | pH 7; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 78800 | pH 8; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 63400 | pH 9; Maalili: 25 °C | (1) ACD |
Bioconcentration Factor | 21800 | pH 10; Maalili: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Meatotino | Taua | Tulaga | Punavai |
Koc | 487 | pH 1; Maalili: 25 °C | (1) ACD |
Koc | 3940 | pH 2; Maalili: 25 °C | (1) ACD |
Koc | 29600 | pH 3; Maalili: 25 °C | (1) ACD |
Koc | 88400 | pH 4; Maalili: 25 °C | (1) ACD |
Meatotino | Taua | Tulaga | Punavai |
Koc | 1.10 x 105 | pH 5; Maalili: 25 °C | (1) ACD |
Koc | 1.13 x 105 | pH 6; Maalili: 25 °C | (1) ACD |
Koc | 1.13 x 105 | pH 7; Maalili: 25 °C | (1) ACD |
Koc | 1.10 x 105 | pH 8; Maalili: 25 °C | (1) ACD |
Koc | 88800 | pH 9; Maalili: 25 °C | (1) ACD |
Koc | 30600 | pH 10; Maalili: 25 °C | (1) ACD |
ogalaauD | 4.39 | pH 1; Maalili: 25 °C | (1) ACD |
ogalaauD | 5.30 | pH 2; Maalili: 25 °C | (1) ACD |
ogalaauD | 6.18 | pH 3; Maalili: 25 °C | (1) ACD |
ogalaauD | 6.65 | pH 4; Maalili: 25 °C | (1) ACD |
ogalaauD | 6.75 | pH 5; Maalili: 25 °C | (1) ACD |
ogalaauD | 6.76 | pH 6; Maalili: 25 °C | (1) ACD |
ogalaauD | 6.76 | pH 7; Maalili: 25 °C | (1) ACD |
ogalaauD | 6.75 | pH 8; Maalili: 25 °C | (1) ACD |
ogalaauD | 6.65 | pH 9; Maalili: 25 °C | (1) ACD |
ogalaauD | 6.19 | pH 10; Maalili: 25 °C | (1) ACD |
logP | 6.761±0.669 | Maalili: 25 °C | (1) ACD |
Mass Intrinsic Solubility | 2.0 x 10-4 g/L | Maalili: 25 °C | (1) ACD |
Mass Solubility | 0.046 g/L | pH 1; Maalili: 25 °C | (1) ACD |
Mass Solubility | 5.7 x 10-3 g/L | pH 2; Maalili: 25 °C | (1) ACD |
Mass Solubility | 7.6 x 10-4 g/L | pH 3; Maalili: 25 °C | (1) ACD |
Mass Solubility | 2.5 x 10-4 g/L | pH 4; Maalili: 25 °C | (1) ACD |
Mass Solubility | 2.0 x 10-4 g/L | pH 5; Maalili: 25 °C | (1) ACD |
Mass Solubility | 2.0 x 10-4 g/L | pH 6; Maalili: 25 °C | (1) ACD |
Mass Solubility | 2.0 x 10-4 g/L | pH 7; Maalili: 25 °C | (1) ACD |
Mass Solubility | 2.0 x 10-4 g/L | pH 8; Maalili: 25 °C | (1) ACD |
Mass Solubility | 2.5 x 10-4 g/L | pH 9; Maalili: 25 °C | (1) ACD |
Mass Solubility | 7.4 x 10-4 g/L | pH 10; Maalili: 25 °C | (1) ACD |
Mass Solubility | 2.0 x 10-4 g/L | Suavai e le fa'afefe pH 7.00; Maalili: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 2.4 x 10-7 mol/L | Maalili: 25 °C | (1) ACD |
Molar Solubility | 5.6 x 10-5 mol/L | pH 1; Maalili: 25 °C | (1) ACD |
Molar Solubility | 7.0 x 10-6 mol/L | pH 2; Maalili: 25 °C | (1) ACD |
Meatotino | Taua | Tulaga | Punavai |
Molar Solubility | 9.3 x 10-7 mol/L | pH 3; Maalili: 25 °C | (1) ACD |
Molar Solubility | 3.1 x 10-7 mol/L | pH 4; Maalili: 25 °C | (1) ACD |
Molar Solubility | 2.5 x 10-7 mol/L | pH 5; Maalili: 25 °C | (1) ACD |
Molar Solubility | 2.4 x 10-7 mol/L | pH 6; Maalili: 25 °C | (1) ACD |
Molar Solubility | 2.4 x 10-7 mol/L | pH 7; Maalili: 25 °C | (1) ACD |
Molar Solubility | 2.5 x 10-7 mol/L | pH 8; Maalili: 25 °C | (1) ACD |
Molar Solubility | 3.1 x 10-7 mol/L | pH 9; Maalili: 25 °C | (1) ACD |
Molar Solubility | 9.0 x 10-7 mol/L | pH 10; Maalili: 25 °C | (1) ACD |
Molar Solubility | 2.4 x 10-7 mol/L | Suavai e le fa'afefe pH 7.00; Maalili: 25 °C | (1) ACD |
Molecular Weight | 818.89 | ||
pKa | 9.55±0.10 | Le Tele o le Asi Sua: 25 °C | (1) ACD |
pKa | 3.45±0.70 | Tele Su'esu'ega Autu: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Meatotino | Taua | Tulaga | Punavai |
Noanoaga e mafai ona fesuia'i saoloto | 21 | (1) ACD | |
H Tagata talia | 14 | (1) ACD | |
H Donors | 1 | (1) ACD | |
H Fa'ameaalofa/Tagata Talia | 15 | (1) ACD | |
logP | 6.761±0.669 | Maalili: 25 °C | (1) ACD |
Molecular Weight | 818.89 |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Meatotino | Taua | Tulaga Punavai |
Polar Surface Area | 164 A2 | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Spectra avanoa
1 H NMR
13 C NMR
Fa'amatalaga Fa'amatalaga o Tulaga Lamatia | |
H302 E afaina pe a foloina | European Chemical Agency (ECHA) Fa'avasegaina & Fa'ailoga Inventory - Fa'ailoaina le fa'avasegaina ma le fa'ailoga - fa'amatalaga masani, European Chemical Agency (ECHA) Fa'avasegaga & Fa'ailoga Fa'ailoga - Fa'ailoaina le fa'avasegaina ma le fa'ailoga - fa'amatalaga sili ona ogaoga |