ChemSpider 2D Image | (1aR,6R,14R,15aR)-8-Chloro-6,9,11-trihydroxy-14-methyl-1a,2,3,4,5,6,7,14,15,15a-decahydro-12H-oxireno[e][2]benzoxacyclotetradecin-12-one | C18H23ClO6

(1aR,6R,14R,15aR)-8-Chloro-6,9,11-trihydroxy-14-methyl-1a,2,3,4,5,6,7,14,15,15a-decahydro-12H-oxireno[e][2]benzoxacyclotetradecin-12-one

  • Molecular FormulaC18H23ClO6
  • Average mass370.825 Da
  • Monoisotopic mass370.118317 Da
  • ChemSpider ID30809530

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1aR,6R,14R,15aR)-8-Chlor-6,9,11-trihydroxy-14-methyl-1a,2,3,4,5,6,7,14,15,15a-decahydro-12H-oxireno[e][2]benzoxacyclotetradecin-12-on [German] [ACD/IUPAC Name]
(1aR,6R,14R,15aR)-8-Chloro-6,9,11-trihydroxy-14-methyl-1a,2,3,4,5,6,7,14,15,15a-decahydro-12H-oxireno[e][2]benzoxacyclotetradecin-12-one [ACD/IUPAC Name]
(1aR,6R,14R,15aR)-8-Chloro-6,9,11-trihydroxy-14-méthyl-1a,2,3,4,5,6,7,14,15,15a-décahydro-12H-oxiréno[e][2]benzoxacyclotétradécin-12-one [French] [ACD/IUPAC Name]
12H-Oxireno[e][2]benzoxacyclotetradecin-12-one, 8-chloro-1a,2,3,4,5,6,7,14,15,15a-decahydro-6,9,11-trihydroxy-14-methyl-, (1aR,6R,14R,15aR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 626.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 332.8±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 91.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 189.02
ACD/KOC (pH 5.5): 1448.70
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 24.75
ACD/KOC (pH 7.4): 189.70
Polar Surface Area: 100 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 281.3±3.0 cm3

Click to predict properties on the Chemicalize site


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