ChemSpider 2D Image | (19E,21alpha)-21-(alpha-D-Gulopyranosyloxy)-1,2-didehydro-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate | C27H32N2O8

(19E,21α)-21-(α-D-Gulopyranosyloxy)-1,2-didehydro-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate

  • Molecular FormulaC27H32N2O8
  • Average mass512.552 Da
  • Monoisotopic mass512.215881 Da
  • ChemSpider ID4952877

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 12 defined stereocentres

More details:

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

(19E,21α)-21-(α-D-Gulopyranosyloxy)-1,2-didehydro-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate [ACD/IUPAC Name]
(19E,21α)-21-(α-D-Gulopyranosyloxy)-1,2-didehydro-2,7-dihydro-7,17-cyclosarpagan-17-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (19E,21α)-21-(α-D-gulopyranosyloxy)-1,2-didéhydro-2,7-dihydro-7,17-cyclosarpagan-17-yle [French] [ACD/IUPAC Name]
α-D-Gulopyranoside, (21α)-17-(acetyloxy)-1,2-didehydro-2,7-dihydro-7,17-cyclosarpagan-21-yl [ACD/Index Name]
(17R,19E,21α)-17-Acetoxy-1,2,19,20-tetradehydro-1-demethylajmalan-21-yl β-D-glucopyranoside
250-546-0 [EINECS]
31282-07-2 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.799
Molar Refractivity: 124.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.96
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.11
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.93
Polar Surface Area: 141 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 72.7±7.0 dyne/cm
Molar Volume: 292.0±7.0 cm3

Click to predict properties on the Chemicalize site


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