ChemSpider 2D Image | (2alpha,7beta,16S,19E,21alpha)-21-(beta-D-Glucopyranosyloxy)-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate | C27H34N2O8

(2α,7β,16S,19E,21α)-21-(β-D-Glucopyranosyloxy)-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate

  • Molecular FormulaC27H34N2O8
  • Average mass514.568 Da
  • Monoisotopic mass514.231506 Da
  • ChemSpider ID26326592

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(2α,7β,16S,19E,21α)-21-(β-D-Glucopyranosyloxy)-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate [ACD/IUPAC Name]
(2α,7β,16S,19E,21α)-21-(β-D-Glucopyranosyloxy)-2,7-dihydro-7,17-cyclosarpagan-17-yl-acetat [German] [ACD/IUPAC Name]
(2β,7β,16s,17r,19e,21β)-21-(β-D-Glucopyranosyloxy)-2,7-Dihydro-7,17-Cyclosarpagan-17-Yl Acetate
Acétate de (2α,7β,16S,19E,21α)-21-(β-D-glucopyranosyloxy)-2,7-dihydro-7,17-cyclosarpagan-17-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2α,7β,16S,21α)-17-(acetyloxy)-2,7-dihydro-7,17-cyclosarpagan-21-yl [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.697
Molar Refractivity: 130.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -0.68
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.32
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.44
Polar Surface Area: 141 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 79.9±5.0 dyne/cm
Molar Volume: 338.1±5.0 cm3

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