ChemSpider 2D Image | Ascleposide E | C19H30O8

Ascleposide E

  • Molecular FormulaC19H30O8
  • Average mass386.437 Da
  • Monoisotopic mass386.194061 Da
  • ChemSpider ID29365009

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,3S,5R,8R)-1,5-Dimethyl-8-[(1E)-3-oxo-1-buten-1-yl]-6-oxabicyclo[3.2.1]oct-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,3S,5R,8R)-1,5-Dimethyl-8-[(1E)-3-oxo-1-buten-1-yl]-6-oxabicyclo[3.2.1]oct-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
325686-49-5 [RN]
3-Buten-2-one, 4-[(1S,3S,5R,8R)-3-(β-D-glucopyranosyloxy)-1,5-dimethyl-6-oxabicyclo[3.2.1]oct-8-yl]-, (3E)- [ACD/Index Name]
Ascleposide E
β-D-Glucopyranoside de (1S,3S,5R,8R)-1,5-diméthyl-8-[(1E)-3-oxo-1-butén-1-yl]-6-oxabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
MFCD11975486

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

Density: 1.3±0.1 g/cm3
Boiling Point: 589.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 101.0±6.0 kJ/mol
Flash Point: 206.6±23.6 °C
Index of Refraction: 1.575
Molar Refractivity: 95.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.79
ACD/LogD (pH 5.5): -1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.67
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.67
Polar Surface Area: 126 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 288.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement