ChemSpider 2D Image | Operculinoside C | C42H72O14

Operculinoside C

  • Molecular FormulaC42H72O14
  • Average mass801.013 Da
  • Monoisotopic mass800.492188 Da
  • ChemSpider ID28482451

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(3β,16α,24S)-16,25-Dihydroxy-20,24-epoxydammaran-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,16α,24S)-16,25-Dihydroxy-20,24-epoxydammaran-3-yl-2-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (3β,16α,24S)-16,25-dihydroxy-20,24-époxydammaran-3-yle [French] [ACD/IUPAC Name]
Operculinoside C
β-D-Glucopyranoside, (3β,16α,24S)-20,24-epoxy-16,25-dihydroxydammaran-3-yl 2-O-β-D-glucopyranosyl- [ACD/Index Name]
(20S,24S)-20,24-epoxy-3β,16R,25-trihydroxydammarane 3-O-β-D-glucopyranosyl-(1->2)-β-D-glucopyranoside

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

Density: 1.3±0.1 g/cm3
Boiling Point: 893.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.4±6.0 kJ/mol
Flash Point: 493.9±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 204.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 127.72
ACD/KOC (pH 5.5): 1119.43
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 127.72
ACD/KOC (pH 7.4): 1119.43
Polar Surface Area: 228 Å2
Polarizability: 81.0±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 597.6±5.0 cm3

Click to predict properties on the Chemicalize site


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