ChemSpider 2D Image | Benzyl 4,6-O-benzylidene-2-deoxy-2-[(2,4-dinitrophenyl)amino]-alpha-D-allopyranoside | C26H25N3O9

Benzyl 4,6-O-benzylidene-2-deoxy-2-[(2,4-dinitrophenyl)amino]-α-D-allopyranoside

  • Molecular FormulaC26H25N3O9
  • Average mass523.491 Da
  • Monoisotopic mass523.159058 Da
  • ChemSpider ID34969340

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

4,6-O-Benzylidène-2-désoxy-2-[(2,4-dinitrophényl)amino]-α-D-allopyranoside de benzyle [French] [ACD/IUPAC Name]
Benzyl 4,6-O-benzylidene-2-deoxy-2-[(2,4-dinitrophenyl)amino]-α-D-allopyranoside [ACD/IUPAC Name]
Benzyl-4,6-O-benzyliden-2-desoxy-2-[(2,4-dinitrophenyl)amino]-α-D-allopyranosid [German] [ACD/IUPAC Name]
α-D-Allopyranoside, phenylmethyl 2-deoxy-2-[(2,4-dinitrophenyl)amino]-4,6-O-(phenylmethylene)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 738.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 400.5±32.9 °C
Index of Refraction: 1.669
Molar Refractivity: 133.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 7.00
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 2937.78
ACD/KOC (pH 5.5): 10568.25
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2937.76
ACD/KOC (pH 7.4): 10568.20
Polar Surface Area: 161 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 72.4±5.0 dyne/cm
Molar Volume: 357.0±5.0 cm3

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