ChemSpider 2D Image | (7beta,16xi,17R,19E,21beta)-21-(beta-D-Glucopyranosyloxy)-1,2-didehydro-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate | C27H32N2O8

(7β,16ξ,17R,19E,21β)-21-(β-D-Glucopyranosyloxy)-1,2-didehydro-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate

  • Molecular FormulaC27H32N2O8
  • Average mass512.552 Da
  • Monoisotopic mass512.215881 Da
  • ChemSpider ID71060555

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 12 defined stereocentres

More details:

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

(7β,16ξ,17R,19E,21β)-21-(β-D-Glucopyranosyloxy)-1,2-didehydro-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate [ACD/IUPAC Name]
(7β,16ξ,17R,19E,21β)-21-(β-D-Glucopyranosyloxy)-1,2-didehydro-2,7-dihydro-7,17-cyclosarpagan-17-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (7β,16ξ,17R,19E,21β)-21-(β-D-glucopyranosyloxy)-1,2-didéhydro-2,7-dihydro-7,17-cyclosarpagan-17-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (7β,16ξ,17R,21β)-17-(acetyloxy)-1,2-didehydro-2,7-dihydro-7,17-cyclosarpagan-21-yl [ACD/Index Name]
31282-07-2 [RN]
raucaffricine

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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