ChemSpider 2D Image | Dimethyl (15beta,16beta)-13-isopropyl-15-(methoxycarbonyl)atis-13-ene-17,18-dioate | C27H40O6

Dimethyl (15β,16β)-13-isopropyl-15-(methoxycarbonyl)atis-13-ene-17,18-dioate

  • Molecular FormulaC27H40O6
  • Average mass460.603 Da
  • Monoisotopic mass460.282501 Da
  • ChemSpider ID24736731

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(15β,16β)-13-Isopropyl-15-(méthoxycarbonyl)atis-13-ène-17,18-dioate de diméthyle [French] [ACD/IUPAC Name]
Atis-13-ene-17,18-dioic acid, 15-(methoxycarbonyl)-13-(1-methylethyl)-, dimethyl ester, (15β,16β)- [ACD/Index Name]
Dimethyl (15β,16β)-13-isopropyl-15-(methoxycarbonyl)atis-13-ene-17,18-dioate [ACD/IUPAC Name]
Dimethyl-(15β,16β)-13-isopropyl-15-(methoxycarbonyl)atis-13-en-17,18-dioat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 509.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 214.5±30.2 °C
Index of Refraction: 1.529
Molar Refractivity: 124.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 6.45
ACD/BCF (pH 5.5): 46550.10
ACD/KOC (pH 5.5): 76362.52
ACD/LogD (pH 7.4): 6.45
ACD/BCF (pH 7.4): 46550.10
ACD/KOC (pH 7.4): 76362.52
Polar Surface Area: 79 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 43.0±5.0 dyne/cm
Molar Volume: 402.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement