Found 95 results

Search term: MF = 'C_{28}H_{37}NO_{7}'
ChemSpider 2D Image | (3aR,5R,7aS)-7-(Benzyloxy)-5-[(3-methoxybenzyl)oxy]-N-(2-methoxyethyl)-2,2-dimethylhexahydro-1,3-benzodioxole-5-carboxamide | C28H37NO7

(3aR,5R,7aS)-7-(Benzyloxy)-5-[(3-methoxybenzyl)oxy]-N-(2-methoxyethyl)-2,2-dimethylhexahydro-1,3-benzodioxole-5-carboxamide

  • Molecular FormulaC28H37NO7
  • Average mass499.596 Da
  • Monoisotopic mass499.256989 Da
  • ChemSpider ID29257840

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3aR,5R,7aS)-7-(Benzyloxy)-5-[(3-methoxybenzyl)oxy]-N-(2-methoxyethyl)-2,2-dimethylhexahydro-1,3-benzodioxol-5-carboxamid [German] [ACD/IUPAC Name]
(3aR,5R,7aS)-7-(Benzyloxy)-5-[(3-methoxybenzyl)oxy]-N-(2-methoxyethyl)-2,2-dimethylhexahydro-1,3-benzodioxole-5-carboxamide [ACD/IUPAC Name]
(3aR,5R,7aS)-7-(Benzyloxy)-5-[(3-méthoxybenzyl)oxy]-N-(2-méthoxyéthyl)-2,2-diméthylhexahydro-1,3-benzodioxole-5-carboxamide [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-carboxamide, hexahydro-N-(2-methoxyethyl)-5-[(3-methoxyphenyl)methoxy]-2,2-dimethyl-7-(phenylmethoxy)-, (3aR,5R,7aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 643.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.1±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 135.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 901.64
ACD/KOC (pH 5.5): 4537.45
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 901.64
ACD/KOC (pH 7.4): 4537.45
Polar Surface Area: 84 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 415.6±5.0 cm3

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