ChemSpider 2D Image | 1,2,5-Trideoxy-2,5-bis({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-phenyl-6-O-phenyl-L-iditol | C28H40N2O7

1,2,5-Trideoxy-2,5-bis({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-phenyl-6-O-phenyl-L-iditol

  • Molecular FormulaC28H40N2O7
  • Average mass516.626 Da
  • Monoisotopic mass516.283569 Da
  • ChemSpider ID412608

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,2,5-Trideoxy-2,5-bis({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-phenyl-6-O-phenyl-L-iditol [ACD/IUPAC Name]
1,2,5-Tridesoxy-2,5-bis({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-phenyl-6-O-phenyl-L-iditol [German] [ACD/IUPAC Name]
1,2,5-Tridésoxy-2,5-bis({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-1-phényl-6-O-phényl-L-iditol [French] [ACD/IUPAC Name]
L-Iditol, 1,2,5-trideoxy-2,5-bis[[(1,1-dimethylethoxy)carbonyl]amino]-1-phenyl-6-O-phenyl- [ACD/Index Name]
2,5-Bis[N-(tert-butyloxycarbonyl)amino]-1,2,5-trideoxy-1-phenyl-6-O-phenyl-L-iditol

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

AIDS060297 [DBID]
AIDS-060297 [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: 694.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 373.6±31.5 °C
Index of Refraction: 1.547
Molar Refractivity: 140.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.68
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5092.03
ACD/KOC (pH 5.5): 15666.97
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5091.17
ACD/KOC (pH 7.4): 15664.32
Polar Surface Area: 126 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 443.0±3.0 cm3

Click to predict properties on the Chemicalize site


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