ChemSpider 2D Image | (3R,4R)-3-(4-Hydroxybenzyl)-4-methoxy-3,7-chromanediol | C17H18O5

(3R,4R)-3-(4-Hydroxybenzyl)-4-methoxy-3,7-chromanediol

  • Molecular FormulaC17H18O5
  • Average mass302.322 Da
  • Monoisotopic mass302.115417 Da
  • ChemSpider ID28650735

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-3-(4-Hydroxybenzyl)-4-methoxy-3,7-chromandiol [German] [ACD/IUPAC Name]
(3R,4R)-3-(4-Hydroxybenzyl)-4-methoxy-3,7-chromanediol [ACD/IUPAC Name]
(3R,4R)-3-(4-Hydroxybenzyl)-4-méthoxy-3,7-chromanediol [French] [ACD/IUPAC Name]
1052714-12-1 [RN]
2H-1-Benzopyran-3,7-diol, 3,4-dihydro-3-[(4-hydroxyphenyl)methyl]-4-methoxy-, (3R,4R)- [ACD/Index Name]
3'-Deoxy-4-O-methylepisappanol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 516.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 266.3±30.1 °C
Index of Refraction: 1.662
Molar Refractivity: 80.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.41
ACD/KOC (pH 5.5): 352.63
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.21
ACD/KOC (pH 7.4): 349.88
Polar Surface Area: 79 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 217.8±5.0 cm3

Click to predict properties on the Chemicalize site


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