ChemSpider 2D Image | Methyl (1R,3S,6S,9S,10S,11S,12S,13R,14R,16R)-11-chloro-12,14-dihydroxy-10,17-dimethyl-4-oxo-2-oxapentacyclo[7.6.1.1~3,15~.0~1,6~.0~13,16~]heptadec-15(17)-ene-9-carboxylate | C20H25ClO6

Methyl (1R,3S,6S,9S,10S,11S,12S,13R,14R,16R)-11-chloro-12,14-dihydroxy-10,17-dimethyl-4-oxo-2-oxapentacyclo[7.6.1.13,15.01,6.013,16]heptadec-15(17)-ene-9-carboxylate

  • Molecular FormulaC20H25ClO6
  • Average mass396.862 Da
  • Monoisotopic mass396.133972 Da
  • ChemSpider ID75573852

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R,3S,6S,9S,10S,11S,12S,13R,14R,16R)-11-Chloro-12,14-dihydroxy-10,17-diméthyl-4-oxo-2-oxapentacyclo[7.6.1.13,15.01,6.013,16]heptadéc-15(17)-ène-9-carboxylate de méthyle [French] [ACD/IUPAC Name]
7H-2,11-Methenoacenaphtho[2a,3-b]pyran-6a(10H)-carboxylic acid, 8-chloro-2,3,4,4a,5,6,8,9,9a,11b-decahydro-9,10-dihydroxy-7,12-dimethyl-3-oxo-, methyl ester, (2S,4aS,6aS,7S,8S,9S,9aR,10R,11aR,11bR)- [ACD/Index Name]
Methyl (1R,3S,6S,9S,10S,11S,12S,13R,14R,16R)-11-chloro-12,14-dihydroxy-10,17-dimethyl-4-oxo-2-oxapentacyclo[7.6.1.13,15.01,6.013,16]heptadec-15(17)-ene-9-carboxylate [ACD/IUPAC Name]
Methyl-(1R,3S,6S,9S,10S,11S,12S,13R,14R,16R)-11-chlor-12,14-dihydroxy-10,17-dimethyl-4-oxo-2-oxapentacyclo[7.6.1.13,15.01,6.013,16]heptadec-15(17)-en-9-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 588.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.9±6.0 kJ/mol
Flash Point: 309.9±30.1 °C
Index of Refraction: 1.612
Molar Refractivity: 95.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.80
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.30
ACD/KOC (pH 5.5): 158.32
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.30
ACD/KOC (pH 7.4): 158.32
Polar Surface Area: 93 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 274.4±5.0 cm3

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