ChemSpider 2D Image | Methyl {(3aR,4R,6S,6aR)-4-(carbamoylamino)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl}acetate | C16H26N2O8

Methyl {(3aR,4R,6S,6aR)-4-(carbamoylamino)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl}acetate

  • Molecular FormulaC16H26N2O8
  • Average mass374.386 Da
  • Monoisotopic mass374.168915 Da
  • ChemSpider ID30659061

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

{(3aR,4R,6S,6aR)-4-(Carbamoylamino)-6-[(4R)-2,2-diméthyl-1,3-dioxolan-4-yl]-2,2-diméthyltétrahydrofuro[3,4-d][1,3]dioxol-4-yl}acétate de méthyle [French] [ACD/IUPAC Name]
Methyl {(3aR,4R,6S,6aR)-4-(carbamoylamino)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl}acetate [ACD/IUPAC Name]
Methyl-{(3aR,4R,6S,6aR)-4-(carbamoylamino)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl}acetat [German] [ACD/IUPAC 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: 464.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 234.4±28.7 °C
Index of Refraction: 1.537
Molar Refractivity: 87.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.31
ACD/KOC (pH 5.5): 144.59
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.31
ACD/KOC (pH 7.4): 144.46
Polar Surface Area: 128 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 281.5±5.0 cm3

Click to predict properties on the Chemicalize site


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