ChemSpider 2D Image | MANADOPEROXIDE B | C19H32O5

MANADOPEROXIDE B

  • Molecular FormulaC19H32O5
  • Average mass340.454 Da
  • Monoisotopic mass340.224976 Da
  • ChemSpider ID25032347

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{(3S,4S,6R)-6-Méthoxy-4-méthyl-6-[(4E,6E)-6-méthyl-4,6-nonadién-1-yl]-1,2-dioxan-3-yl}acétate de méthyle [French] [ACD/IUPAC Name]
1,2-Dioxane-3-acetic acid, 6-methoxy-4-methyl-6-[(4E,6E)-6-methyl-4,6-nonadien-1-yl]-, methyl ester, (3S,4S,6R)- [ACD/Index Name]
MANADOPEROXIDE B
Methyl {(3S,4S,6R)-6-methoxy-4-methyl-6-[(4E,6E)-6-methyl-4,6-nonadien-1-yl]-1,2-dioxan-3-yl}acetate [ACD/IUPAC Name]
Methyl-{(3S,4S,6R)-6-methoxy-4-methyl-6-[(4E,6E)-6-methyl-4,6-nonadien-1-yl]-1,2-dioxan-3-yl}acetat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 390.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.0±3.0 kJ/mol
Flash Point: 165.1±26.0 °C
Index of Refraction: 1.482
Molar Refractivity: 94.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1243.00
ACD/KOC (pH 5.5): 5709.81
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1243.00
ACD/KOC (pH 7.4): 5709.81
Polar Surface Area: 54 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 35.7±5.0 dyne/cm
Molar Volume: 332.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement