ChemSpider 2D Image | 2',3'-O-Isopropylidene-5'-O-[(4-methylphenyl)sulfonyl]adenosine | C20H23N5O6S

2',3'-O-Isopropylidene-5'-O-[(4-methylphenyl)sulfonyl]adenosine

  • Molecular FormulaC20H23N5O6S
  • Average mass461.491 Da
  • Monoisotopic mass461.136902 Da
  • ChemSpider ID18596288

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2',3'-O-Isopropyliden-5'-O-[(4-methylphenyl)sulfonyl]adenosin [German] [ACD/IUPAC Name]
2',3'-O-Isopropylidene-5'-O-[(4-methylphenyl)sulfonyl]adenosine [ACD/IUPAC Name]
2',3'-O-Isopropylidène-5'-O-[(4-méthylphényl)sulfonyl]adénosine [French] [ACD/IUPAC Name]
5605-63-0 [RN]
Adenosine, 2',3'-O-(1-methylethylidene)-, 5'-(4-methylbenzenesulfonate) [ACD/Index Name]
[(3Ar,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate
2',3'-O-ISOPROPYLIDENE-5'-O-TOLUOLSULFONYL-ADENOSINE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 696.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 374.9±34.3 °C
Index of Refraction: 1.726
Molar Refractivity: 112.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 52.31
ACD/KOC (pH 5.5): 587.49
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.48
ACD/KOC (pH 7.4): 600.66
Polar Surface Area: 149 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 65.5±7.0 dyne/cm
Molar Volume: 282.4±7.0 cm3

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