ChemSpider 2D Image | (5xi,9xi,13xi,14xi,17xi)-23,24,25-Trihydroxy-3-oxo-13,30-cyclodammaran-7-yl hexopyranoside | C36H60O10

(5ξ,9ξ,13ξ,14ξ,17ξ)-23,24,25-Trihydroxy-3-oxo-13,30-cyclodammaran-7-yl hexopyranoside

  • Molecular FormulaC36H60O10
  • Average mass652.856 Da
  • Monoisotopic mass652.418640 Da
  • ChemSpider ID5144335

  • defined stereocentres - 3 of 16 defined stereocentres

More details:

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

(5ξ,9ξ,13ξ,14ξ,17ξ)-23,24,25-Trihydroxy-3-oxo-13,30-cyclodammaran-7-yl hexopyranoside [ACD/IUPAC Name]
(5ξ,9ξ,13ξ,14ξ,17ξ)-23,24,25-Trihydroxy-3-oxo-13,30-cyclodammaran-7-ylhexopyranosid [German] [ACD/IUPAC Name]
13,30-Cyclodammaran-3-one, 7-(hexopyranosyloxy)-23,24,25-trihydroxy-, (5ξ,9ξ,13ξ,14ξ,17ξ)- [ACD/Index Name]
Hexopyranoside de (5ξ,9ξ,13ξ,14ξ,17ξ)-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

NCI60_021720 [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: 820.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.7±6.0 kJ/mol
Flash Point: 251.1±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: 1.58
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.85
ACD/KOC (pH 5.5): 228.42
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.85
ACD/KOC (pH 7.4): 228.42
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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