ChemSpider 2D Image | (5xi,9xi,13alpha,17xi,20S)-23,24,25-Trihydroxy-3-oxo-13,30-cyclodammaran-7-yl 6-O-acetylhexopyranoside | C38H62O11

(5ξ,9ξ,13α,17ξ,20S)-23,24,25-Trihydroxy-3-oxo-13,30-cyclodammaran-7-yl 6-O-acetylhexopyranoside

  • Molecular FormulaC38H62O11
  • Average mass694.892 Da
  • Monoisotopic mass694.429199 Da
  • ChemSpider ID10143488

  • defined stereocentres - 5 of 16 defined stereocentres

More details:

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

(5ξ,9ξ,13α,17ξ,20S)-23,24,25-Trihydroxy-3-oxo-13,30-cyclodammaran-7-yl 6-O-acetylhexopyranoside [ACD/IUPAC Name]
(5ξ,9ξ,13α,17ξ,20S)-23,24,25-Trihydroxy-3-oxo-13,30-cyclodammaran-7-yl-6-O-acetylhexopyranosid [German] [ACD/IUPAC Name]
13,30-Cyclodammaran-3-one, 7-[(6-O-acetylhexopyranosyl)oxy]-23,24,25-trihydroxy-, (5ξ,9ξ,13α,17ξ,20S)- [ACD/Index Name]
6-O-Acétylhexopyranoside de (5ξ,9ξ,13α,17ξ,20S)-23,24,25-trihydroxy-3-oxo-13,30-cyclodammaran-7-yle [French] [ACD/IUPAC Name]

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

NSC664908 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 821.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.8±6.0 kJ/mol
Flash Point: 246.6±27.8 °C
Index of Refraction: 1.583
Molar Refractivity: 180.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 432.36
ACD/KOC (pH 5.5): 2681.27
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 432.35
ACD/KOC (pH 7.4): 2681.24
Polar Surface Area: 183 Å2
Polarizability: 71.4±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 539.5±5.0 cm3

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