ChemSpider 2D Image | (5R,6S,7S)-5-Isobutoxy-1,2,10,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-3-ol | C27H38O7

(5R,6S,7S)-5-Isobutoxy-1,2,10,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-3-ol

  • Molecular FormulaC27H38O7
  • Average mass474.586 Da
  • Monoisotopic mass474.261749 Da
  • ChemSpider ID30825794

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5R,6S,7S)-5-Isobutoxy-1,2,10,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-3-ol [German] [ACD/IUPAC Name]
(5R,6S,7S)-5-Isobutoxy-1,2,10,11,12-pentamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-3-ol [ACD/IUPAC Name]
(5R,6S,7S)-5-Isobutoxy-1,2,10,11,12-pentaméthoxy-6,7-diméthyl-5,6,7,8-tétrahydrodibenzo[a,c][8]annulén-3-ol [French] [ACD/IUPAC Name]
Dibenzo[a,c]cycloocten-3-ol, 5,6,7,8-tetrahydro-1,2,10,11,12-pentamethoxy-6,7-dimethyl-5-(2-methylpropoxy)-, (5R,6S,7S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 595.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 314.0±30.1 °C
Index of Refraction: 1.554
Molar Refractivity: 130.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2131.35
ACD/KOC (pH 5.5): 8398.74
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2085.86
ACD/KOC (pH 7.4): 8219.48
Polar Surface Area: 76 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 407.9±5.0 cm3

Click to predict properties on the Chemicalize site


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