ChemSpider 2D Image | reinocarnoside B | C33H54O9

reinocarnoside B

  • Molecular FormulaC33H54O9
  • Average mass594.776 Da
  • Monoisotopic mass594.376770 Da
  • ChemSpider ID28536104
  • defined stereocentres - 10 of 17 defined stereocentres


More details:



Featured data source



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

(3β,8ξ,9ξ,14ξ,16ξ,17ξ,22ξ,25S)-3-Hydroxyspirostan-5-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ,16ξ,17ξ,22ξ,25S)-3-Hydroxyspirostan-5-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
reinocarnoside B
β-D-Glucopyranoside de (3β,8ξ,9ξ,14ξ,16ξ,17ξ,22ξ,25S)-3-hydroxyspirostan-5-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,8ξ,9ξ,14ξ,16ξ,17ξ,22ξ,25S)-3-hydroxyspirostan-5-yl [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 722.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.5±6.0 kJ/mol
Flash Point: 390.4±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 154.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.33
ACD/KOC (pH 5.5): 508.10
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 42.33
ACD/KOC (pH 7.4): 508.09
Polar Surface Area: 138 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 455.7±5.0 cm3

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