ChemSpider 2D Image | DEHYDROERGOSTEROL METHYL ETHER | C29H44O

DEHYDROERGOSTEROL METHYL ETHER

  • Molecular FormulaC29H44O
  • Average mass408.659 Da
  • Monoisotopic mass408.339203 Da
  • ChemSpider ID32700758

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β,20R,22E)-3-Methoxyergosta-5,7,9(11),22-tetraen [German] [ACD/IUPAC Name]
(3β,20R,22E)-3-Methoxyergosta-5,7,9(11),22-tetraene [ACD/IUPAC Name]
(3β,20R,22E)-3-Méthoxyergosta-5,7,9(11),22-tétraène [French] [ACD/IUPAC Name]
5895-66-9 [RN]
DEHYDROERGOSTEROL METHYL ETHER
Ergosta-5,7,9(11),22-tetraene, 3-methoxy-, (3β,20R,22E)- [ACD/Index Name]

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

PX3VK31D6R [DBID]
UNII:PX3VK31D6R [DBID]
UNII-PX3VK31D6R [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 507.4±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 262.6±25.5 °C
Index of Refraction: 1.538
Molar Refractivity: 128.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 9.53
ACD/LogD (pH 5.5): 8.67
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1234810.75
ACD/LogD (pH 7.4): 8.67
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1234810.75
Polar Surface Area: 9 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 36.8±5.0 dyne/cm
Molar Volume: 411.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement