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

alaabta

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

Macluumaadka aasaasiga ah:


Faahfaahinta Alaabta

Tags Product

Faahfaahinta Walaxda

Lambarka Diiwaanka CAS

110764-79-9

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

Qalabka Jidhka ee Furaha ah Qiimaha   Xaalad
Miisaanka Molecular 760.81   -
pKa (La saadaaliyay) 9.39±0.10   Heerkulka ugu acidic badan: 25 °C

Magacyo Kale iyo Aqoonsiyo

Dhoola-cadaynta 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

Dhoola-caddeyn

C (OC[C@@H]1[C@@H] (OP(N(C)C)C(C)C)OCCC#N)[C@@H](OC) 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

Furaha InChi

UVUOJOLPNDCIHL-XKZJCBTISA-N

1 Magaca kale ee walaxdan

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

Spectra waa la heli karaa

Mass

Guryaha la saadaaliyay

Guryaha la heli karo
Nafley
Kiimiko
Lipinski
Qaab-dhismeedka La Xiriira

Nafley

Hanti Qiimaha Xaalad Xigasho
Qodobka bioconcentration 254 pH 1;Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 2050 pH 2;Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 15400 pH 3;Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 46000 pH 4;Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 57500 pH 5;Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 58900 pH 6;Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 58900 pH 7;Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 56800 pH 8;Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 42300 pH 9;Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 12200 pH 10;Heerkulka: 25 °C (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Kiimiko

Hanti Qiimaha Xaalad Xigasho
Koc 389 pH 1;Heerkulka: 25 °C (1) ACD
Koc 3140 pH 2;Heerkulka: 25 °C (1) ACD
Koc 23600 pH 3;Heerkulka: 25 °C (1) ACD
Koc 70500 pH 4;Heerkulka: 25 °C (1) ACD
Koc 88100 pH 5;Heerkulka: 25 °C (1) ACD
Koc 90300 pH 6;Heerkulka: 25 °C (1) ACD
Koc 90200 pH 7;Heerkulka: 25 °C (1) ACD
Koc 87100 pH 8;Heerkulka: 25 °C (1) ACD
Koc 64800 pH 9;Heerkulka: 25 °C (1) ACD
Koc 18700kii pH 10;Heerkulka: 25 °C (1) ACD

 

Hanti Qiimaha Xaalad Xigasho
logD 4.21 pH 1;Heerkulka: 25 °C (1) ACD
logD 5.12 pH 2;Heerkulka: 25 °C (1) ACD
logD 6.00 pH 3;Heerkulka: 25 °C (1) ACD
logD 6.47 pH 4;Heerkulka: 25 °C (1) ACD
logD 6.57 pH 5;Heerkulka: 25 °C (1) ACD
logD 6.58 pH 6;Heerkulka: 25 °C (1) ACD
logD 6.58 pH 7;Heerkulka: 25 °C (1) ACD
logD 6.56 pH 8;Heerkulka: 25 °C (1) ACD
logD 6.44 pH 9;Heerkulka: 25 °C (1) ACD
logD 5.90 pH 10;Heerkulka: 25 °C (1) ACD
logP 6.581± 0.646 Heerkulka: 25 °C (1) ACD
Solubility Mass Intrinsic 8.4 x 10-5 g/L Heerkulka: 25 °C (1) ACD
Xalka tirada badan 0.019 g/L pH 1;Heerkulka: 25 °C (1) ACD
Xalka tirada badan 2.4 x 10-3 g/L pH 2;Heerkulka: 25 °C (1) ACD
Xalka tirada badan 3.1 x 10-4 g/L pH 3;Heerkulka: 25 °C (1) ACD
Xalka tirada badan 1.1 x 10-4 g/L pH 4;Heerkulka: 25 °C (1) ACD
Xalka tirada badan 8.4 x 10-5 g/L pH 5;Heerkulka: 25 °C (1) ACD
Xalka tirada badan 8.4 x 10-5 g/L pH 6;Heerkulka: 25 °C (1) ACD
Xalka tirada badan 8.4 x 10-5 g/L pH 7;Heerkulka: 25 °C (1) ACD
Xalka tirada badan 8.4 x 10-5 g/L pH 8;Heerkulka: 25 °C (1) ACD
Xalka tirada badan 1.1 x 10-4 g/L pH 9;Heerkulka: 25 °C (1) ACD
Xalka tirada badan 4.0 x 10-4 g/L pH 10;Heerkulka: 25 °C (1) ACD
Xalka tirada badan 8.4 x 10-5 g/L Biyaha aan la daboolin pH 7.00;Heerkulka: 25 °C (1) ACD
Solubility Intrinsic Molar 1.1 x 10-7 mol/L Heerkulka: 25 °C (1) ACD
Solubility Molar 2.5 x 10-5 mol/L pH 1;Heerkulka: 25 °C (1) ACD
Solubility Molar 3.1 x 10-6 mol/L pH 2;Heerkulka: 25 °C (1) ACD
Solubility Molar 4.1 x 10-7 mol/L pH 3;Heerkulka: 25 °C (1) ACD
Solubility Molar 1.4 x 10-7 mol/L pH 4;Heerkulka: 25 °C (1) ACD
Solubility Molar 1.1 x 10-7 mol/L pH 5;Heerkulka: 25 °C (1) ACD
Solubility Molar 1.1 x 10-7 mol/L pH 6;Heerkulka: 25 °C (1) ACD
Solubility Molar 1.1 x 10-7 mol/L pH 7;Heerkulka: 25 °C (1) ACD
Solubility Molar 1.1 x 10-7 mol/L pH 8;Heerkulka: 25 °C (1) ACD

 

Hanti Qiimaha Xaalad Xigasho
Solubility Molar 1.5 x 10-7 mol/L pH 9;Heerkulka: 25 °C (1) ACD
Solubility Molar 5.2 x 10-7 mol/L pH 10;Heerkulka: 25 °C (1) ACD
Solubility Molar 1.1 x 10-7 mol/L Biyaha aan la daboolin pH 7.00;Heerkulka: 25 °C (1) ACD
Miisaanka Molecular 760.81    
pKa 9.39±0.10 Heerkulka ugu acidic badan: 25 °C (1) ACD
pKa 3.45 ± 0.70 Heerkulka ugu badan ee aasaasiga ah: 25 °C (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Hanti Qiimaha Xaalad Xigasho
Boondhigyo si xor ah loo wareejin karo 18   (1) ACD
H Aqbalayaasha 13   (1) ACD
H Deeq-bixiyayaasha 1   (1) ACD
Ku-deeqaha/Aqbalka Wadarta 14   (1) ACD
logP 6.581± 0.646 Heerkulka: 25 °C (1) ACD
Miisaanka Molecular 760.81    

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Qaab-dhismeedka La Xiriira

Hanti Qiimaha Isha Xaaladda
Aagga dusha sare ee Polar 155 A2 (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra la saadaaliyay

Spectra waa la heli karaa
1 H NMR
13 C NMR

Bayaannada Khatarta GHS

Koodhka Bayaanka Khatarta Xigasho
H335 Waxa laga yaabaa inay keento cuncun xagga neefsiga ah Khabiir ayaa la qiimeeyay
H331 Sun haddii la nuugo Khabiir ayaa la qiimeeyay
H319 Waxay keentaa cuncun indhaha oo halis ah Khabiir ayaa la qiimeeyay
H315 Waxay sababtaa cuncun maqaarka Khabiir ayaa la qiimeeyay

 

Koodhka Bayaanka Khatarta Xigasho
H311 Sunta maqaarka la taabto Khabiir ayaa la qiimeeyay
H301+H311+H331 Sun ah haddii la liqo, maqaarka taabto ama la nuugo Khabiir ayaa la qiimeeyay
H301 Sun ah haddii la liqo Khabiir ayaa la qiimeeyay

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