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Search term: QFCHHSMYAFEZCK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-[1-(Benzyloxy)-2-propanyl]-3-methyl-6-oxo-5-(2-oxopropyl)tetrahydro-2H-pyran-4-yl 3,5-dinitrobenzoate | C26H28N2O10

2-[1-(Benzyloxy)-2-propanyl]-3-methyl-6-oxo-5-(2-oxopropyl)tetrahydro-2H-pyran-4-yl 3,5-dinitrobenzoate

  • Molecular FormulaC26H28N2O10
  • Average mass528.508 Da
  • Monoisotopic mass528.174377 Da
  • ChemSpider ID170922

More details:

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

2-[1-(Benzyloxy)-2-propanyl]-3-methyl-6-oxo-5-(2-oxopropyl)tetrahydro-2H-pyran-4-yl 3,5-dinitrobenzoate [ACD/IUPAC Name]
2-[1-(Benzyloxy)-2-propanyl]-3-methyl-6-oxo-5-(2-oxopropyl)tetrahydro-2H-pyran-4-yl-3,5-dinitrobenzoat [German] [ACD/IUPAC Name]
3,5-Dinitrobenzoate de 2-[1-(benzyloxy)-2-propanyl]-3-méthyl-6-oxo-5-(2-oxopropyl)tétrahydro-2H-pyran-4-yle [French] [ACD/IUPAC Name]
138847-00-4 [RN]
2,4,6-Trideoxy-4,6-dimethyl-2-(2-oxopropyl)-7-O-(phenylmethyl)-glycero-manno-heptono-1,5-lactone 3-(3,5-dinitrobenzoate)
2,4,6-TRIDEOXY-4,6-DIMETHYL-2-(2-OXOPROPYL)-7-O-BENZYL-GLYCERO-MANNO-HEPTONO-1,5-LACTONE 3-(3,5-DINITROBENZOATE)
Doppm-valerolactone dino2Ph

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

Density: 1.3±0.1 g/cm3
Boiling Point: 683.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 250.9±33.5 °C
Index of Refraction: 1.585
Molar Refractivity: 131.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 504.66
ACD/KOC (pH 5.5): 2995.08
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 504.66
ACD/KOC (pH 7.4): 2995.08
Polar Surface Area: 171 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 393.1±5.0 cm3

Click to predict properties on the Chemicalize site


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