ChemSpider 2D Image | (3beta,7alpha,15beta,16alpha,17beta)-2,21-Dioxo-16-vinyl-19,20-didehydro-16,17-dihydroformosanan-17-yl beta-D-glucopyranoside | C26H30N2O9

(3β,7α,15β,16α,17β)-2,21-Dioxo-16-vinyl-19,20-didehydro-16,17-dihydroformosanan-17-yl β-D-glucopyranoside

  • Molecular FormulaC26H30N2O9
  • Average mass514.524 Da
  • Monoisotopic mass514.195129 Da
  • ChemSpider ID8656984

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,7α,15β,16α,17β)-2,21-Dioxo-16-vinyl-19,20-didehydro-16,17-dihydroformosanan-17-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,7α,15β,16α,17β)-2,21-Dioxo-16-vinyl-19,20-didehydro-16,17-dihydroformosanan-17-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Spiro[3H-indole-3,6'(3'H)-[10H]pyrano[3,4-f]indolizine]-2,10'(1H)-dione, 4'-ethenyl-3'-(β-D-glucopyranosyloxy)-4',4'a,5',5'a,7',8'-hexahydro-, (3S,3'S,4'R,4a'S,5a'R)- [ACD/Index Name]
β-D-Glucopyranoside de (3β,7α,15β,16α,17β)-2,21-dioxo-16-vinyl-19,20-didéhydro-16,17-dihydroformosanan-17-yle [French] [ACD/IUPAC Name]
(3R,7S)-Javaniside
(3β,7α,15β,16α,17β)-16-ethenyl-2,21-dioxo-19,20-didehydro-16,17-dihydroformosanan-17-yl β-D-glucopyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL486183/
Javaniside

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

Density: 1.6±0.1 g/cm3
Boiling Point: 839.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.8±3.0 kJ/mol
Flash Point: 461.2±34.3 °C
Index of Refraction: 1.697
Molar Refractivity: 127.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -0.99
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.12
ACD/LogD (pH 7.4): -0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.12
Polar Surface Area: 158 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 83.5±5.0 dyne/cm
Molar Volume: 331.0±5.0 cm3

Click to predict properties on the Chemicalize site


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