ChemSpider 2D Image | (6S,7R,8S)-8-(4-Hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydro-2-naphthalenol | C20H24O6

(6S,7R,8S)-8-(4-Hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydro-2-naphthalenol

  • Molecular FormulaC20H24O6
  • Average mass360.401 Da
  • Monoisotopic mass360.157288 Da
  • ChemSpider ID62411581

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6S,7R,8S)-8-(4-Hydroxy-3-méthoxyphényl)-6,7-bis(hydroxyméthyl)-3-méthoxy-5,6,7,8-tétrahydro-2-naphtalénol [French] [ACD/IUPAC Name]
(6S,7R,8S)-8-(4-Hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydro-2-naphthalenol [ACD/IUPAC Name]
(6S,7R,8S)-8-(4-Hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydro-2-naphthalinol [German] [ACD/IUPAC Name]
2,3-Naphthalenedimethanol, 1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-, (1S,2R,3S)- [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: 584.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 307.1±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 97.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.38
ACD/KOC (pH 5.5): 222.78
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.33
ACD/KOC (pH 7.4): 222.02
Polar Surface Area: 99 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 282.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement