ChemSpider 2D Image | (2R,3R,4R)-3,4-Bis(benzyloxy)-2-[(benzyloxy)methyl]-5-methoxy-4a-nitrooctahydro-7H-chromen-7-one | C32H35NO8

(2R,3R,4R)-3,4-Bis(benzyloxy)-2-[(benzyloxy)methyl]-5-methoxy-4a-nitrooctahydro-7H-chromen-7-one

  • Molecular FormulaC32H35NO8
  • Average mass561.622 Da
  • Monoisotopic mass561.236267 Da
  • ChemSpider ID9653368

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

(2R,3R,4R)-3,4-Bis(benzyloxy)-2-[(benzyloxy)methyl]-5-methoxy-4a-nitrooctahydro-7H-chromen-7-on [German] [ACD/IUPAC Name]
(2R,3R,4R)-3,4-Bis(benzyloxy)-2-[(benzyloxy)methyl]-5-methoxy-4a-nitrooctahydro-7H-chromen-7-one [ACD/IUPAC Name]
(2R,3R,4R)-3,4-Bis(benzyloxy)-2-[(benzyloxy)méthyl]-5-méthoxy-4a-nitrooctahydro-7H-chromén-7-one [French] [ACD/IUPAC Name]
7H-1-Benzopyran-7-one, octahydro-5-methoxy-4a-nitro-3,4-bis(phenylmethoxy)-2-[(phenylmethoxy)methyl]-, (2R,3R,4R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 691.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 239.5±33.5 °C
Index of Refraction: 1.604
Molar Refractivity: 151.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.80
ACD/LogD (pH 5.5): 6.25
ACD/BCF (pH 5.5): 32972.16
ACD/KOC (pH 5.5): 59658.71
ACD/LogD (pH 7.4): 6.25
ACD/BCF (pH 7.4): 32972.16
ACD/KOC (pH 7.4): 59658.71
Polar Surface Area: 109 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 440.9±5.0 cm3

Click to predict properties on the Chemicalize site


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