ChemSpider 2D Image | (1R)-1,5-Anhydro-1-[8-(benzyloxy)-3-hydroxy-7,12-dimethoxy-3-methyl-1,2,3,4-tetrahydro-9-tetraphenyl]-2,6-dideoxy-D-arabino-hexitol | C34H38O7

(1R)-1,5-Anhydro-1-[8-(benzyloxy)-3-hydroxy-7,12-dimethoxy-3-methyl-1,2,3,4-tetrahydro-9-tetraphenyl]-2,6-dideoxy-D-arabino-hexitol

  • Molecular FormulaC34H38O7
  • Average mass558.661 Da
  • Monoisotopic mass558.261780 Da
  • ChemSpider ID32679179

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1R)-1,5-Anhydro-1-[8-(benzyloxy)-3-hydroxy-7,12-dimethoxy-3-methyl-1,2,3,4-tetrahydro-9-tetraphenyl]-2,6-dideoxy-D-arabino-hexitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-[8-(benzyloxy)-3-hydroxy-7,12-dimethoxy-3-methyl-1,2,3,4-tetrahydro-9-tetraphenyl]-2,6-didesoxy-D-arabino-hexitol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-[8-(benzyloxy)-3-hydroxy-7,12-diméthoxy-3-méthyl-1,2,3,4-tétrahydro-9-tétraphényl]-2,6-didésoxy-D-arabino-hexitol [French] [ACD/IUPAC Name]
D-arabino-Hexitol, 1,5-anhydro-2,6-dideoxy-1-C-[1,2,3,4-tetrahydro-3-hydroxy-7,12-dimethoxy-3-methyl-8-(phenylmethoxy)benz[a]anthracen-9-yl]-, (1R)- [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: 776.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 423.3±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 160.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 5015.91
ACD/KOC (pH 5.5): 15498.97
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 5015.90
ACD/KOC (pH 7.4): 15498.95
Polar Surface Area: 98 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 438.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement