ChemSpider 2D Image | 1-O-[(2alpha,3beta)-2,3,19-Trihydroxy-28-oxours-12-en-28-yl]-D-glucopyranose | C36H58O10

1-O-[(2α,3β)-2,3,19-Trihydroxy-28-oxours-12-en-28-yl]-D-glucopyranose

  • Molecular FormulaC36H58O10
  • Average mass650.840 Da
  • Monoisotopic mass650.403015 Da
  • ChemSpider ID2282414
  • defined stereocentres - 15 of 16 defined stereocentres


More details:






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

1-O-[(2α,3β)-2,3,19-Trihydroxy-28-oxours-12-en-28-yl]-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2α,3β)-2,3,19-Trihydroxy-28-oxours-12-en-28-yl]-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2α,3β)-2,3,19-Trihydroxy-28-oxours-12-én-28-yl]-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, 1-O-[(2α,3β)-2,3,19-trihydroxy-28-oxours-12-en-28-yl]- [ACD/Index Name]
(+)-Rosamultin
28-Glucosyltormentate
2α,3β,19α-Trihydroxylurs-12-en-28-oic acid-28-O-β-D-glucopyranoside
88515-58-6 [RN]
Tormentic acid 28-O-glucosyl ester
Urs-12-en-28-oic acid, 2,3,19-trihydroxy-, β-D-glucopyranosyl ester, (2α,3β)-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 741.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.4±6.0 kJ/mol
Flash Point: 223.6±26.4 °C
Index of Refraction: 1.605
Molar Refractivity: 170.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 4
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2197.63
ACD/KOC (pH 5.5): 8585.55
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2197.60
ACD/KOC (pH 7.4): 8585.44
Polar Surface Area: 177 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 494.6±5.0 cm3

Click to predict properties on the Chemicalize site






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