ChemSpider 2D Image | anthenoside O | C35H58O9

anthenoside O

  • Molecular FormulaC35H58O9
  • Average mass622.830 Da
  • Monoisotopic mass622.408081 Da
  • ChemSpider ID60596857

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(3α,5α,6β,7β,16α,22E,24S)-3,6,7-Trihydroxyergosta-8(14),22-dien-16-yl 3-O-methyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3α,5α,6β,7β,16α,22E,24S)-3,6,7-Trihydroxyergosta-8(14),22-dien-16-yl-3-O-methyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3-O-Méthyl-β-D-glucopyranoside de (3α,5α,6β,7β,16α,22E,24S)-3,6,7-trihydroxyergosta-8(14),22-dién-16-yle [French] [ACD/IUPAC Name]
anthenoside O
β-D-Glucopyranoside, (3α,5α,6β,7β,16α,22E,24S)-3,6,7-trihydroxyergosta-8(14),22-dien-16-yl 3-O-methyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 749.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.7±6.0 kJ/mol
Flash Point: 407.2±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 167.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2717.45
ACD/KOC (pH 5.5): 9994.65
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2717.43
ACD/KOC (pH 7.4): 9994.59
Polar Surface Area: 149 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 503.4±5.0 cm3

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