ChemSpider 2D Image | {(1R,4aS,5R,8aS)-1,4a-Dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalenyl}methyl alpha-D-glucopyranoside | C26H40O8

{(1R,4aS,5R,8aS)-1,4a-Dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalenyl}methyl α-D-glucopyranoside

  • Molecular FormulaC26H40O8
  • Average mass480.591 Da
  • Monoisotopic mass480.272308 Da
  • ChemSpider ID28425598

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

{(1R,4aS,5R,8aS)-1,4a-Dimethyl-6-methylen-5-[2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalinyl}methyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
{(1R,4aS,5R,8aS)-1,4a-Dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalenyl}methyl α-D-glucopyranoside [ACD/IUPAC Name]
2(5H)-Furanone, 3-[2-[(1R,4aS,5R,8aS)-5-[(α-D-glucopyranosyloxy)methyl]decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]- [ACD/Index Name]
α-D-Glucopyranoside de {(1R,4aS,5R,8aS)-1,4a-diméthyl-6-méthylène-5-[2-(2-oxo-2,5-dihydro-3-furanyl)éthyl]décahydro-1-naphtalényl}méthyle [French] [ACD/IUPAC Name]
27215-14-1 [RN]
neoandrographolide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 668.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±6.0 kJ/mol
Flash Point: 220.1±25.0 °C
Index of Refraction: 1.576
Molar Refractivity: 124.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.60
ACD/KOC (pH 5.5): 457.84
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.60
ACD/KOC (pH 7.4): 457.84
Polar Surface Area: 126 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 377.1±5.0 cm3

Click to predict properties on the Chemicalize site


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