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)

oloa

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)

Fa'amatalaga Autu:


Fa'amatalaga Oloa

Faailoga o oloa

Auiliiliga Mea

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

Isi Igoa ma Fa'ailoaga

ATA'ITA'I 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

Fa'ata'ita'iga Spectra

Spectra avanoa
1 H NMR
13 C NMR
Hetero NMR

Meatotino Va'ai

Meatotino avanoa
Biological
Kemisi
Lipinski
Fauga Faatatau

Biological

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)

Kemisi

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)

Lipinski

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)

Fauga Faatatau

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)

Va'aiga Spectra

Spectra avanoa
1 H NMR
13 C NMR

Fa'amatalaga o Tulaga Lamatia o le GHS

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'avasegaina & Fa'ailoga Fa'ailoga - Fa'ailoaina le fa'avasegaina ma le fa'ailoga - fa'amatalaga sili ona ogaoga


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