ChemSpider 2D Image | (3alpha,7beta,9beta,24S)-3,7,24-Trihydroxy-1-oxo-9,19-cyclolanostan-25-yl beta-D-glucopyranoside | C36H60O10

(3α,7β,9β,24S)-3,7,24-Trihydroxy-1-oxo-9,19-cyclolanostan-25-yl β-D-glucopyranoside

  • Molecular FormulaC36H60O10
  • Average mass652.856 Da
  • Monoisotopic mass652.418640 Da
  • ChemSpider ID23343352
  • defined stereocentres - 16 of 16 defined stereocentres


More details:






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

(3α,7β,9β,24S)-3,7,24-Trihydroxy-1-oxo-9,19-cyclolanostan-25-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3α,7β,9β,24S)-3,7,24-Trihydroxy-1-oxo-9,19-cyclolanostan-25-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
9,19-Cyclolanostan-1-one, 25-(β-D-glucopyranosyloxy)-3,7,24-trihydroxy-, (3α,7β,9β,24S)- [ACD/Index Name]
β-D-Glucopyranoside de (3α,7β,9β,24S)-3,7,24-trihydroxy-1-oxo-9,19-cyclolanostan-25-yle [French] [ACD/IUPAC Name]
1055329-47-9 [RN]
3R,7S,24S,25-tetrahydroxycycloartan-1-one 25-O-β-D-glucopyranoside
Sutherlandioside B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 800.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.6±6.0 kJ/mol
Flash Point: 244.1±27.8 °C
Index of Refraction: 1.595
Molar Refractivity: 170.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.67
ACD/KOC (pH 5.5): 238.03
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.67
ACD/KOC (pH 7.4): 238.03
Polar Surface Area: 177 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 502.1±5.0 cm3

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