ChemSpider 2D Image | (2R,3'R,7R,8R,8aR)-5-Chloro-7-hydroxy-3'-(hydroxymethyl)-3',8,8a-trimethyl-1,7,8,8a-tetrahydro-3H-spiro[naphthalene-2,2'-oxiran]-3-one | C15H19ClO4

(2R,3'R,7R,8R,8aR)-5-Chloro-7-hydroxy-3'-(hydroxymethyl)-3',8,8a-trimethyl-1,7,8,8a-tetrahydro-3H-spiro[naphthalene-2,2'-oxiran]-3-one

  • Molecular FormulaC15H19ClO4
  • Average mass298.762 Da
  • Monoisotopic mass298.097198 Da
  • ChemSpider ID30771121

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3'R,7R,8R,8aR)-5-Chlor-7-hydroxy-3'-(hydroxymethyl)-3',8,8a-trimethyl-1,7,8,8a-tetrahydro-3H-spiro[naphthalene-2,2'-oxiran]-3-on [German] [ACD/IUPAC Name]
(2R,3'R,7R,8R,8aR)-5-Chloro-7-hydroxy-3'-(hydroxymethyl)-3',8,8a-trimethyl-1,7,8,8a-tetrahydro-3H-spiro[naphthalene-2,2'-oxiran]-3-one [ACD/IUPAC Name]
(2R,3'R,7R,8R,8aR)-5-Chloro-7-hydroxy-3'-(hydroxyméthyl)-3',8,8a-triméthyl-1,7,8,8a-tétrahydro-3H-spiro[naphthalene-2,2'-oxiran]-3-one [French] [ACD/IUPAC Name]
Spiro[naphthalene-2(3H),2'-oxiran]-3-one, 5-chloro-1,7,8,8a-tetrahydro-7-hydroxy-3'-(hydroxymethyl)-3',8,8a-trimethyl-, (2R,3'R,7R,8R,8aR)- [ACD/Index 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: 478.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.6±6.0 kJ/mol
Flash Point: 243.1±28.7 °C
Index of Refraction: 1.599
Molar Refractivity: 74.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.96
ACD/KOC (pH 5.5): 139.57
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 6.96
ACD/KOC (pH 7.4): 139.57
Polar Surface Area: 70 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 218.0±5.0 cm3

Click to predict properties on the Chemicalize site


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