ChemSpider 2D Image | (2S,3S,4R)-4-(4-Hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydro-2,6-naphthalenediol | C20H24O7

(2S,3S,4R)-4-(4-Hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydro-2,6-naphthalenediol

  • Molecular FormulaC20H24O7
  • Average mass376.400 Da
  • Monoisotopic mass376.152191 Da
  • ChemSpider ID113610331

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S,4R)-4-(4-Hydroxy-3-méthoxyphényl)-2,3-bis(hydroxyméthyl)-7-méthoxy-1,2,3,4-tétrahydro-2,6-naphtalènediol [French] [ACD/IUPAC Name]
(2S,3S,4R)-4-(4-Hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydro-2,6-naphthalenediol [ACD/IUPAC Name]
(2S,3S,4R)-4-(4-Hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydro-2,6-naphthalindiol [German] [ACD/IUPAC Name]
2,3-Naphthalenedimethanol, 1,2,3,4-tetrahydro-3,7-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-, (1R,2S,3S)- [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: 623.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 331.0±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 98.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.95
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.59
ACD/KOC (pH 5.5): 68.85
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.58
ACD/KOC (pH 7.4): 68.59
Polar Surface Area: 120 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 63.2±3.0 dyne/cm
Molar Volume: 277.9±3.0 cm3

Click to predict properties on the Chemicalize site


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