ChemSpider 2D Image | benzyl N-[(3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-yl]carbamate | C16H21NO5

benzyl N-[(3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-yl]carbamate

  • Molecular FormulaC16H21NO5
  • Average mass307.342 Da
  • Monoisotopic mass307.141968 Da
  • ChemSpider ID26519506
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

[(3aS,4R,6S,6aR)-6-Hydroxy-2,2-diméthyltétrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamate de benzyle [French] [ACD/IUPAC Name]
274693-53-7 [RN]
Benzyl [(3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamate [ACD/IUPAC Name]
benzyl N-[(3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-yl]carbamate
Benzyl-[(3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta[d]-1,3-dioxol-4-yl]-, phenylmethyl ester [ACD/Index Name]
Phenylmethyl N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]carbamate
T55 BO DOTJ C1 C1 FQ HMVO1R &&(3aaS,4R,6S,6aR)- Form [WLN]
[3aS-(3a??,4??,6??,6a??)]-[tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]-carbamic acid, phenylmethyl ester
[3aS-(3aα,4α,6α,6aα)]- (tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl)carbamic acid phenylmethyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 489.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 249.6±28.7 °C
Index of Refraction: 1.576
Molar Refractivity: 79.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.58
ACD/KOC (pH 5.5): 354.27
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.57
ACD/KOC (pH 7.4): 354.24
Polar Surface Area: 77 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 240.0±5.0 cm3

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