ChemSpider 2D Image | CSID:444508 | C29H42O7

  • Molecular FormulaC29H42O7
  • Average mass502.640 Da
  • Monoisotopic mass502.293060 Da
  • ChemSpider ID444508

  • defined stereocentres - 5 of 11 defined stereocentres

More details:

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

1,4-Methano-s-indacene-3a(1H)-carboxylic acid, 8a-[[[2,6-dideoxy-3,4-O-(1-methylethylidene)-b-D-glycero-hexopyranosyl]oxy]methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-, (4aR,7R,7aR)-

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

AIDS180719 [DBID]
AIDS-180719 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 597.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 97.1±6.0 kJ/mol
Flash Point: 189.9±23.6 °C
Index of Refraction: 1.567
Molar Refractivity: 132.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 103.39
ACD/KOC (pH 5.5): 324.75
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 2.16
ACD/KOC (pH 7.4): 6.79
Polar Surface Area: 91 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 405.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement