ChemSpider 2D Image | (3beta,5xi,8xi,9beta,14xi,16beta,20xi,24S)-16,25-Dihydroxy-3-(pentopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-6-yl hexopyranoside | C41H68O14

(3β,5ξ,8ξ,9β,14ξ,16β,20ξ,24S)-16,25-Dihydroxy-3-(pentopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-6-yl hexopyranoside

  • Molecular FormulaC41H68O14
  • Average mass784.970 Da
  • Monoisotopic mass784.460938 Da
  • ChemSpider ID331724

  • defined stereocentres - 7 of 21 defined stereocentres

More details:

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

(3β,5ξ,8ξ,9β,14ξ,16β,20ξ,24S)-16,25-Dihydroxy-3-(pentopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-6-yl hexopyranoside [ACD/IUPAC Name]
(3β,5ξ,8ξ,9β,14ξ,16β,20ξ,24S)-16,25-Dihydroxy-3-(pentopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-6-ylhexopyranosid [German] [ACD/IUPAC Name]
Hexopyranoside de (3β,5ξ,8ξ,9β,14ξ,16β,20ξ,24S)-16,25-dihydroxy-3-(pentopyranosyloxy)-20,24-époxy-9,19-cyclolanostan-6-yle [French] [ACD/IUPAC Name]
Hexopyranoside, (3β,5ξ,8ξ,9β,14ξ,16β,20ξ,24S)-20,24-epoxy-16,25-dihydroxy-3-(pentopyranosyloxy)-9,19-cyclolanostan-6-yl [ACD/Index Name]

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

NCI60_017783 [DBID]
NSC650944 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 895.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.8±6.0 kJ/mol
Flash Point: 495.5±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 197.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.74
ACD/KOC (pH 5.5): 121.57
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.74
ACD/KOC (pH 7.4): 121.57
Polar Surface Area: 228 Å2
Polarizability: 78.4±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 562.6±5.0 cm3

Click to predict properties on the Chemicalize site


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