ChemSpider 2D Image | (7beta,9beta,24S)-7,24-Dihydroxy-1-oxo-9,19-cyclolanost-2-en-25-yl beta-D-glucopyranoside | C36H58O9

(7β,9β,24S)-7,24-Dihydroxy-1-oxo-9,19-cyclolanost-2-en-25-yl β-D-glucopyranoside

  • Molecular FormulaC36H58O9
  • Average mass634.840 Da
  • Monoisotopic mass634.408081 Da
  • ChemSpider ID23343354

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(7β,9β,24S)-7,24-Dihydroxy-1-oxo-9,19-cyclolanost-2-en-25-yl β-D-glucopyranoside [ACD/IUPAC Name]
(7β,9β,24S)-7,24-Dihydroxy-1-oxo-9,19-cyclolanost-2-en-25-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
9,19-Cyclolanost-2-en-1-one, 25-(β-D-glucopyranosyloxy)-7,24-dihydroxy-, (7β,9β,24S)- [ACD/Index Name]
β-D-Glucopyranoside de (7β,9β,24S)-7,24-dihydroxy-1-oxo-9,19-cyclolanost-2-én-25-yle [French] [ACD/IUPAC Name]
1055329-49-1 [RN]
7S,24S,25-trihydroxycycloart-2-en-1-one 25-O-β-D-glucoyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL504299/
Sutherlandioside D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 776.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 128.9±6.0 kJ/mol
Flash Point: 237.3±26.4 °C
Index of Refraction: 1.595
Molar Refractivity: 169.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.60
ACD/KOC (pH 5.5): 834.11
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.60
ACD/KOC (pH 7.4): 834.11
Polar Surface Area: 157 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 497.6±5.0 cm3

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