ChemSpider 2D Image | (3alpha,9beta,24S)-3,24-Dihydroxy-1,11-dioxo-9,19-cyclolanostan-25-yl beta-D-glucopyranoside | C36H58O10

(3α,9β,24S)-3,24-Dihydroxy-1,11-dioxo-9,19-cyclolanostan-25-yl β-D-glucopyranoside

  • Molecular FormulaC36H58O10
  • Average mass650.840 Da
  • Monoisotopic mass650.403015 Da
  • ChemSpider ID23343353
  • defined stereocentres - 15 of 15 defined stereocentres


More details:






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

(3α,9β,24S)-3,24-Dihydroxy-1,11-dioxo-9,19-cyclolanostan-25-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3α,9β,24S)-3,24-Dihydroxy-1,11-dioxo-9,19-cyclolanostan-25-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
9,19-Cyclolanostane-1,11-dione, 25-(β-D-glucopyranosyloxy)-3,24-dihydroxy-, (3α,9β,24S)- [ACD/Index Name]
β-D-Glucopyranoside de (3α,9β,24S)-3,24-dihydroxy-1,11-dioxo-9,19-cyclolanostan-25-yle [French] [ACD/IUPAC Name]
1055329-48-0 [RN]
3R,24S,25-trihydroxycycloartane-1,11-dione 25-O-β-D-glucopyranoside
Sutherlandioside C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 800.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.5±6.0 kJ/mol
Flash Point: 244.7±27.8 °C
Index of Refraction: 1.591
Molar Refractivity: 169.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 7.61
ACD/KOC (pH 5.5): 148.80
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.61
ACD/KOC (pH 7.4): 148.80
Polar Surface Area: 174 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 501.0±5.0 cm3

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