ChemSpider 2D Image | 2',3',5'-Tri-O-acetyl-8-sulfanylinosine | C16H18N4O8S

2',3',5'-Tri-O-acetyl-8-sulfanylinosine

  • Molecular FormulaC16H18N4O8S
  • Average mass426.401 Da
  • Monoisotopic mass426.084534 Da
  • ChemSpider ID50644791

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2',3',5'-Tri-O-acetyl-8-sulfanylinosin [German] [ACD/IUPAC Name]
2',3',5'-Tri-O-acetyl-8-sulfanylinosine [ACD/IUPAC Name]
2',3',5'-Tri-O-acétyl-8-sulfanylinosine [French] [ACD/IUPAC Name]
Inosine, 8-mercapto-, 2',3',5'-triacetate [ACD/Index Name]
2',3',5'-Tri-O-acetylinosine [ACD/IUPAC Name]
3181-38-2 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 697.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.5±31.5 °C
Index of Refraction: 1.706
Molar Refractivity: 97.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -1.15
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.12
ACD/LogD (pH 7.4): -1.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.70
Polar Surface Area: 186 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 63.3±7.0 dyne/cm
Molar Volume: 250.6±7.0 cm3

Click to predict properties on the Chemicalize site


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