ChemSpider 2D Image | (2S,3S)-2,3-Bis[4-(benzyloxy)-3-methoxybenzyl]-1,2,4-butanetriol | C34H38O7

(2S,3S)-2,3-Bis[4-(benzyloxy)-3-methoxybenzyl]-1,2,4-butanetriol

  • Molecular FormulaC34H38O7
  • Average mass558.661 Da
  • Monoisotopic mass558.261780 Da
  • ChemSpider ID8730247

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2,3-Bis[4-(benzyloxy)-3-methoxybenzyl]-1,2,4-butanetriol [ACD/IUPAC Name]
(2S,3S)-2,3-Bis[4-(benzyloxy)-3-méthoxybenzyl]-1,2,4-butanetriol [French] [ACD/IUPAC Name]
(2S,3S)-2,3-Bis[4-(benzyloxy)-3-methoxybenzyl]-1,2,4-butantriol [German] [ACD/IUPAC Name]
1,2,4-Butanetriol, 2,3-bis[[3-methoxy-4-(phenylmethoxy)phenyl]methyl]-, (2S,3S)- [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: 756.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 411.6±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 159.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3134.18
ACD/KOC (pH 5.5): 11069.29
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3134.17
ACD/KOC (pH 7.4): 11069.28
Polar Surface Area: 98 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 459.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement