ChemSpider 2D Image | Benzyl (5R)-2-O-benzyl-3-O-(4,4-dimethylpentyl)-5-isobutyl-4-O-(4-methoxybenzyl)-alpha-D-xylopyranoside | C38H52O6

Benzyl (5R)-2-O-benzyl-3-O-(4,4-dimethylpentyl)-5-isobutyl-4-O-(4-methoxybenzyl)-α-D-xylopyranoside

  • Molecular FormulaC38H52O6
  • Average mass604.816 Da
  • Monoisotopic mass604.376404 Da
  • ChemSpider ID8754924

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5R)-2-O-Benzyl-3-O-(4,4-diméthylpentyl)-5-isobutyl-4-O-(4-méthoxybenzyl)-α-D-xylopyranoside de benzyle [French] [ACD/IUPAC Name]
Benzyl (5R)-2-O-benzyl-3-O-(4,4-dimethylpentyl)-5-isobutyl-4-O-(4-methoxybenzyl)-α-D-xylopyranoside [ACD/IUPAC Name]
Benzyl-(5R)-2-O-benzyl-3-O-(4,4-dimethylpentyl)-5-isobutyl-4-O-(4-methoxybenzyl)-α-D-xylopyranosid [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 662.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 238.8±31.4 °C
Index of Refraction: 1.552
Molar Refractivity: 177.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 11.58
ACD/LogD (pH 5.5): 9.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4465047.00
ACD/LogD (pH 7.4): 9.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4465047.00
Polar Surface Area: 55 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 554.1±5.0 cm3

Click to predict properties on the Chemicalize site


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