C34H39N3O8 Cytidine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl]-2'-O- (2-methox yethyl) -5-methyl- (9CI, ACI)

alaabta

C34H39N3O8 Cytidine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl]-2'-O- (2-methox yethyl) -5-methyl- (9CI, ACI)

Macluumaadka aasaasiga ah:


Faahfaahinta Alaabta

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Tilmaamaha jirka

Qalabka Jidhka ee Furaha ah Qiimaha Xaalad
Miisaanka Molecular 617.69 -
Barta karkarinta (La saadaaliyay) 762.6±70.0 °C Riix: 760 Torr
Cufnaanta (La saadaaliyay) 1.27±0.1 g/cm3 Heerkulka: 20 °C;Riix: 760 Torr
pKa (La saadaaliyay) 13.31 ± 0.70 Heerkulka ugu acidic badan: 25 °C

Magacyo Kale iyo Aqoonsiyo

Dhoola caddaynta O=C1N=C(N)C(=CN1C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5 C (O)C2OCCOC)C
Isomeric SMILES C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(N)C(C)=C2 (C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChi
InChi=1S/C34H39N3O8/c1-22-20-37(33(39)36-31(22)35)32-30(43-19-18-40-2)29(38)28(45-32) 21-44-34(23-8-6-5-7-9-23,24-10-14-26(4 1-3)15-11-24 )17-13-25/h5-17,20,28-30,32,38H,18-19,21H2,1-4H3,(H2,35,36,39)/t28-,29-,30-, 32-/m1/s1
Furaha InChi
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Magacyo kale oo Walaxdan ah
5′-O-[Bis (4-methoxyphenyl) phenylmethyl] -2′-O- (2-methoxyethyl) -5-methylcytidine (ACI);11: PN: US20030170636 PAGE: 17 sheegtay RNA;12: PN: US20030211606 PAGE: 18 sheegtay R NA;12: PN: US20030212017 PAGE: 19 ayaa sheegtay R NA;14: PN: US20040005569 PAG E: 21 sheegtay R NA;15: PN: US20040005565 PAGE: 17- 22 sheegtay RNA;15: PN: US20040005570 PAGE: 19 ayaa sheegtay R NA;15: PN: U S20040006030 PAGE: 22 ayaa sheegtay R NA;15: PN: US20040014048 PAGE: 19 sheegtay R NA;16: PN: US20030171313 PAGE: 9 sheegtay RNA;16: PN: US20030198965 PAGE: 19 sheegtay R NA;16: PN: US20040014047 PAGE: 19 ayaa sheegtay R NA;16: PN: US20040014049 PAGE:

19 ayaa sheegtay RNA;17: PN: US20040014051 PAGE: 21 ayaa sheegtay R NA;17: PN: US20040014699 PAGE: 19 sheegtay R NA;17: PN: W
O03106645 PAGE: 69 ayaa sheegtay R NA;18: PN: US20040006029 PAGE: 22 ayaa sheegtay R NA;2′-O-Methoxyethyl-5′-O-dimethoxytrityl-5- methylcytidine;58: PN: US20030166592 PAGE: 15 sheegtay R NA;5: PN: WO2005006958 PAGE: 61 sheegtay R NA;7: PN: WO20050 07825 PAGE: 61 sheegtay R NA;82: PN: US20040171566 PAGE: 18 sheegtay R NA;89: PN: US20040005707 PAGE: 19 sheegtay R NA;9: PN: WO03084478 PAGE: 56 ayaa sheegtay R NA

Guryaha la saadaaliyay

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

Nafley

Hanti Qiimaha Xaalad Xigasho
Qodobka bioconcentration 1.56 pH 1;Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.99 pH 2;Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 6.19 pH 3;Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 38.0 pH 4;Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 116 pH 5;Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 146 pH 6;Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 150 pH 7;Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 151 pH 8;Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 151 pH 9;Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 151 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 13.0 pH 1;Heerkulka: 25 °C (1) ACD
Koc 16.6 pH 2;Heerkulka: 25 °C (1) ACD
Koc 51.8 pH 3;Heerkulka: 25 °C (1) ACD
Koc 318 pH 4;Heerkulka: 25 °C (1) ACD
Koc 966 pH 5;Heerkulka: 25 °C (1) ACD
Koc 1220 pH 6;Heerkulka: 25 °C (1) ACD
Koc 1260 pH 7;Heerkulka: 25 °C (1) ACD

 

Hanti Qiimaha Xaalad Xigasho
Koc 1260 pH 8;Heerkulka: 25 °C (1) ACD
Koc 1260 pH 9;Heerkulka: 25 °C (1) ACD
Koc 1260 pH 10;Heerkulka: 25 °C (1) ACD
logD 1.18 pH 1;Heerkulka: 25 °C (1) ACD
logD 1.29 pH 2;Heerkulka: 25 °C (1) ACD
logD 1.78 pH 3;Heerkulka: 25 °C (1) ACD
logD 2.57 pH 4;Heerkulka: 25 °C (1) ACD
logD 3.05 pH 5;Heerkulka: 25 °C (1) ACD
logD 3.16 pH 6;Heerkulka: 25 °C (1) ACD
logD 3.17 pH 7;Heerkulka: 25 °C (1) ACD
logD 3.17 pH 8;Heerkulka: 25 °C (1) ACD
logD 3.17 pH 9;Heerkulka: 25 °C (1) ACD
logD 3.17 pH 10;Heerkulka: 25 °C (1) ACD
logP 3.169± 0.598 Heerkulka: 25 °C (1) ACD
Solubility Mass Intrinsic 5.2 x 10-3 g/L Heerkulka: 25 °C (1) ACD
Xalka tirada badan 0.51 g/L pH 1;Heerkulka: 25 °C (1) ACD
Xalka tirada badan 0.40 g/L pH 2;Heerkulka: 25 °C (1) ACD
Xalka tirada badan 0.13 g/L pH 3;Heerkulka: 25 °C (1) ACD
Xalka tirada badan 0.020 g/L pH 4;Heerkulka: 25 °C (1) ACD
Xalka tirada badan 6.8 x 10-3 g/L pH 5;Heerkulka: 25 °C (1) ACD
Xalka tirada badan 5.4 x 10-3 g/L pH 6;Heerkulka: 25 °C (1) ACD
Xalka tirada badan 5.3 x 10-3 g/L pH 7;Heerkulka: 25 °C (1) ACD
Xalka tirada badan 5.2 x 10-3 g/L pH 8;Heerkulka: 25 °C (1) ACD
Xalka tirada badan 5.2 x 10-3 g/L pH 9;Heerkulka: 25 °C (1) ACD
Xalka tirada badan 5.2 x 10-3 g/L pH 10;Heerkulka: 25 °C (1) ACD
Xalka tirada badan 5.3 x 10-3 g/L Biyaha aan la daboolin pH 7.05;Heerkulka: 25 °C (1) ACD
Solubility Intrinsic Molar 8.4 x 10-6 mol/L Heerkulka: 25 °C (1) ACD
Solubility Molar 8.2 x 10-4 mol/L pH 1;Heerkulka: 25 °C (1) ACD
Solubility Molar 6.4 x 10-4 mol/L pH 2;Heerkulka: 25 °C (1) ACD
Solubility Molar 2.1 x 10-4 mol/L pH 3;Heerkulka: 25 °C (1) ACD
Solubility Molar 3.3 x 10-5 mol/L pH 4;Heerkulka: 25 °C (1) ACD
Solubility Molar 1.1 x 10-5 mol/L pH 5;Heerkulka: 25 °C (1) ACD

 

Hanti Qiimaha Xaalad Xigasho
Solubility Molar 8.7 x 10-6 mol/L pH 6;Heerkulka: 25 °C (1) ACD
Solubility Molar 8.5 x 10-6 mol/L pH 7;Heerkulka: 25 °C (1) ACD
Solubility Molar 8.4 x 10-6 mol/L pH 8;Heerkulka: 25 °C (1) ACD
Solubility Molar 8.4 x 10-6 mol/L pH 9;Heerkulka: 25 °C (1) ACD
Solubility Molar 8.4 x 10-6 mol/L pH 10;Heerkulka: 25 °C (1) ACD
Solubility Molar 8.5 x 10-6 mol/L Biyaha aan la daboolin pH 7.05;Heerkulka: 25 °C (1) ACD
Miisaanka Molecular 617.69    
pKa 13.31 ± 0.70 Heerkulka ugu acidic badan: 25 °C (1) ACD
pKa 4.58±0.10 Heerkulka ugu badan ee aasaasiga ah: 25 °C (1) ACD
Cadaadis uumiga 1.89 x 10-24 Torr Heerkulka: 25 °C (1) ACD

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

Cufnaanta

Hanti Qiimaha Xaalad Xigasho
Cufnaanta 1.27±0.1 g/cm3 Heerkulka: 20 °C;Riix: 760 Torr (1) ACD
Mugga Molar 483.8± 7.0 cm3 / mol Heerkulka: 20 °C;Riix: 760 Torr (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 14   (1) ACD
H Aqbalayaasha 11   (1) ACD
H Deeq-bixiyayaasha 3   (1) ACD
Ku-deeqaha/Aqbalka Wadarta 14   (1) ACD
logP 3.169± 0.598 Heerkulka: 25 °C (1) ACD
Miisaanka Molecular 617.69    

(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

Xaalad

Xigasho
Aagga dusha sare ee Polar 134 A2 (1) ACD

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

kulaylka

Hanti Qiimaha Xaalad Xigasho
Barta Karsan 762.6±70.0 °C Riix: 760 Torr (1) ACD
Enthalpy of uumiga 116.53± 3.0 kJ/mol Riix: 760 Torr (1) ACD
Barta Fiishka 415.0± 35.7 °C   (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
1H NMR
13C NMR


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