ChemSpider 2D Image | 1,6-Di-O-benzyl-2,5-bis-O-(4-carbamoylbenzyl)-D-mannitol | C36H40N2O8

1,6-Di-O-benzyl-2,5-bis-O-(4-carbamoylbenzyl)-D-mannitol

  • Molecular FormulaC36H40N2O8
  • Average mass628.711 Da
  • Monoisotopic mass628.278442 Da
  • ChemSpider ID2280286

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,6-Di-O-benzyl-2,5-bis-O-(4-carbamoylbenzyl)-D-mannitol [German] [ACD/IUPAC Name]
1,6-Di-O-benzyl-2,5-bis-O-(4-carbamoylbenzyl)-D-mannitol [ACD/IUPAC Name]
1,6-Di-O-benzyl-2,5-bis-O-(4-carbamoylbenzyl)-D-mannitol [French] [ACD/IUPAC Name]
D-Mannitol, 2,5-bis-O-[[4-(aminocarbonyl)phenyl]methyl]-1,6-bis-O-(phenylmethyl)- [ACD/Index Name]

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

AIDS215901 [DBID]
AIDS-215901 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 870.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.5±3.0 kJ/mol
Flash Point: 480.0±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 174.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 4
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 577.83
ACD/KOC (pH 5.5): 3299.87
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 577.83
ACD/KOC (pH 7.4): 3299.86
Polar Surface Area: 164 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 495.8±3.0 cm3

Click to predict properties on the Chemicalize site


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