C40H49N4O9P Uridine, 5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2' -O-methyl-, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI)

samfur

C40H49N4O9P Uridine, 5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2' -O-methyl-, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI)

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Cikakken Bayani

Tags samfurin

Bayanin Abu

Lambar Rijistar CAS

110764-79-9

H335, H331, H319, H315, H311, H301+H311+H331, H301

Mabuɗin Abubuwan Jiki Daraja   Sharadi
Nauyin Kwayoyin Halitta 760.81   -
pKa (An annabta) 9.39± 0.10   Mafi yawan zafin jiki: 25 ° C

Sauran Sunaye da Masu Ganewa

MURMUSHI na Canonical

N#CCCOP(OC1C(OC(N2C=CC(=O)) NC2=O)C1OC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C( OC)C=C5)N(C(C)C)C(C)C

MURMUSHI

C(OC[C@H] 1[C@@H](OP(N(C)C)C(C)C)OCCC#N H](O1)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC) C=C4)C5=CC=CC =C5

InChi

InChi= 1S/C40H49N4O9P/c1-27(2)44(28(3)4)54(51-25-11-23-41)53-36-34(52-38(37(36)49-7) 43-24-22-35(45)42-39(43)46)26-50-40(29-1 2-9-8-10-13-29,30-14-18-32(47-5) )19-15-30)31-16-20-33(48-6)21-17-31/h8-10,12-22,24,27-28,34,36-38H,11,25-26H2 ,1-7H3,

(H,42,45,46)/t34-,36-,37-,38-,54?/m1/s1

InChi Key

UVUOJOLPNDCIHL-XKZJCBTISA-N

1 Wani Sunan Wannan Abu

Uridine, 5'-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyl-, 3′- [2-cyanoethyl bis (1-methylethyl) phosphoramite] (9CI)

Spectra akwai

Mass

Abubuwan Hasashen

Properties akwai
Halittu
Chemical
Lipinski
Tsarin Yanayi

Halittu

Dukiya Daraja Sharadi Source
Factor na Bioconcentration 254 pH da 1;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 2050 pH da 2;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 15400 pH da 3;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 46000 pH da 4;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 57500 pH da 5;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 58900 pH da 6;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 58900 pH da 7;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 56800 pH da 8;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 42300 pH da 9;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 12200 pH 10;Zazzabi: 25 ° C (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Chemical

Dukiya Daraja Sharadi Source
Koc 389 pH da 1;Zazzabi: 25 ° C (1) ACD
Koc 3140 pH da 2;Zazzabi: 25 ° C (1) ACD
Koc 23600 pH da 3;Zazzabi: 25 ° C (1) ACD
Koc 70500 pH da 4;Zazzabi: 25 ° C (1) ACD
Koc 88100 pH da 5;Zazzabi: 25 ° C (1) ACD
Koc 90300 pH da 6;Zazzabi: 25 ° C (1) ACD
Koc 90200 pH da 7;Zazzabi: 25 ° C (1) ACD
Koc 87100 pH da 8;Zazzabi: 25 ° C (1) ACD
Koc 64800 pH da 9;Zazzabi: 25 ° C (1) ACD
Koc 18700 pH 10;Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
logD 4.21 pH da 1;Zazzabi: 25 ° C (1) ACD
logD 5.12 pH da 2;Zazzabi: 25 ° C (1) ACD
logD 6.00 pH da 3;Zazzabi: 25 ° C (1) ACD
logD 6.47 pH da 4;Zazzabi: 25 ° C (1) ACD
logD 6.57 pH da 5;Zazzabi: 25 ° C (1) ACD
logD 6.58 pH da 6;Zazzabi: 25 ° C (1) ACD
logD 6.58 pH da 7;Zazzabi: 25 ° C (1) ACD
logD 6.56 pH da 8;Zazzabi: 25 ° C (1) ACD
logD 6.44 pH da 9;Zazzabi: 25 ° C (1) ACD
logD 5.90 pH 10;Zazzabi: 25 ° C (1) ACD
logP 6.581± 0.646 Zazzabi: 25 ° C (1) ACD
Mass Intrinsic Solubility 8.4 x 10-5 g/L Zazzabi: 25 ° C (1) ACD
Mass Solubility 0.019 g/L pH da 1;Zazzabi: 25 ° C (1) ACD
Mass Solubility 2.4 x 10-3 g/L pH da 2;Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.1 x 10-4 g/L pH da 3;Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.1 x 10-4 g/L pH da 4;Zazzabi: 25 ° C (1) ACD
Mass Solubility 8.4 x 10-5 g/L pH da 5;Zazzabi: 25 ° C (1) ACD
Mass Solubility 8.4 x 10-5 g/L pH da 6;Zazzabi: 25 ° C (1) ACD
Mass Solubility 8.4 x 10-5 g/L pH da 7;Zazzabi: 25 ° C (1) ACD
Mass Solubility 8.4 x 10-5 g/L pH da 8;Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.1 x 10-4 g/L pH da 9;Zazzabi: 25 ° C (1) ACD
Mass Solubility 4.0 x 10-4 g/L pH 10;Zazzabi: 25 ° C (1) ACD
Mass Solubility 8.4 x 10-5 g/L Ruwan da ba a buguwa pH 7.00;Zazzabi: 25 ° C (1) ACD
Solubility na Ciki na Molar 1.1 x 10-7 mol/L Zazzabi: 25 ° C (1) ACD
Solubility na Molar 2.5 x 10-5 mol/L pH da 1;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 3.1 x 10-6 mol/L pH da 2;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 4.1 x 10-7 mol/L pH da 3;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.4 x 10-7 mol/L pH da 4;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.1 x 10-7 mol/L pH da 5;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.1 x 10-7 mol/L pH da 6;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.1 x 10-7 mol/L pH da 7;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.1 x 10-7 mol/L pH da 8;Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
Solubility na Molar 1.5 x 10-7 mol/L pH da 9;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 5.2 x 10-7 mol/L pH 10;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.1 x 10-7 mol/L Ruwan da ba a buguwa pH 7.00;Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 760.81    
pKa 9.39± 0.10 Mafi yawan zafin jiki: 25 ° C (1) ACD
pKa 3.45± 0.70 Mafi Asalin Zazzabi: 25 ° C (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Dukiya Daraja Sharadi Source
Ƙimar Rarraba Kyauta 18   (1) ACD
H Masu karɓa 13   (1) ACD
H Masu Ba da taimako 1   (1) ACD
H Donor/Acceptor Sum 14   (1) ACD
logP 6.581± 0.646 Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 760.81    

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Tsarin Yanayi

Dukiya Daraja Tushen yanayi
Wuri Mai Girma 155 A2 (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra da aka annabta

Spectra akwai
1 H NMR
13 C NMR

Bayanin Hazard na GHS

Lambar Bayanin Hazard Source
H335 Zai iya haifar da haushin numfashi Kwararre Cuted
H331 Mai guba idan an shaka Kwararre Cuted
H319 Yana haifar da tsananin haushin ido Kwararre Cuted
H315 Yana haifar da haushin fata Kwararre Cuted

 

Lambar Bayanin Hazard Source
H311 Mai guba a lamba tare da fata Kwararre Cuted
H301+H311+H331 Mai guba idan an haɗiye, cikin hulɗa da fata ko na numfashi Kwararre Cuted
H301 Mai guba idan an hadiye shi Kwararre Cuted

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