ChemSpider 2D Image | 5'-Deoxy-2'-O-[(2Z)-3-(4-hydroxyphenyl)-2-methoxy-2-propenoyl]-3'-O-[(2E)-3-(1H-imidazol-4-yl)-2-propenoyl]-5'-(methylsulfinyl)adenosine | C27H27N7O8S

5'-Deoxy-2'-O-[(2Z)-3-(4-hydroxyphenyl)-2-methoxy-2-propenoyl]-3'-O-[(2E)-3-(1H-imidazol-4-yl)-2-propenoyl]-5'-(methylsulfinyl)adenosine

  • Molecular FormulaC27H27N7O8S
  • Average mass609.610 Da
  • Monoisotopic mass609.164185 Da
  • ChemSpider ID10207706

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5'-Deoxy-2'-O-[(2Z)-3-(4-hydroxyphenyl)-2-methoxy-2-propenoyl]-3'-O-[(2E)-3-(1H-imidazol-4-yl)-2-propenoyl]-5'-(methylsulfinyl)adenosine [ACD/IUPAC Name]
5'-Desoxy-2'-O-[(2Z)-3-(4-hydroxyphenyl)-2-methoxy-2-propenoyl]-3'-O-[(2E)-3-(1H-imidazol-4-yl)-2-propenoyl]-5'-(methylsulfinyl)adenosin [German] [ACD/IUPAC Name]
5'-Désoxy-2'-O-[(2Z)-3-(4-hydroxyphényl)-2-méthoxy-2-propenoyl]-3'-O-[(2E)-3-(1H-imidazol-4-yl)-2-propenoyl]-5'-(méthylsulfinyl)adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-deoxy-2'-O-[(2Z)-3-(4-hydroxyphenyl)-2-methoxy-1-oxo-2-propen-1-yl]-3'-O-[(2E)-3-(1H-imidazol-4-yl)-1-oxo-2-propen-1-yl]-5'-(methylsulfinyl)- [ACD/Index Name]
methylsulfinyladenosine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 991.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.6±3.0 kJ/mol
Flash Point: 553.5±37.1 °C
Index of Refraction: 1.731
Molar Refractivity: 151.9±0.5 cm3
#H bond acceptors: 15
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.42
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.14
ACD/KOC (pH 5.5): 80.86
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.50
ACD/KOC (pH 7.4): 146.59
Polar Surface Area: 226 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 72.1±7.0 dyne/cm
Molar Volume: 380.0±7.0 cm3

Click to predict properties on the Chemicalize site


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