ChemSpider 2D Image | Benzyl {(4R,5S)-4-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-2,2-dioxido-1,2,3-oxathiazinan-5-yl}carbamate | C18H27N3O7S

Benzyl {(4R,5S)-4-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-2,2-dioxido-1,2,3-oxathiazinan-5-yl}carbamate

  • Molecular FormulaC18H27N3O7S
  • Average mass429.488 Da
  • Monoisotopic mass429.156982 Da
  • ChemSpider ID30659156

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(4R,5S)-4-[2-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)éthyl]-2,2-dioxydo-1,2,3-oxathiazinan-5-yl}carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl {(4R,5S)-4-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-2,2-dioxido-1,2,3-oxathiazinan-5-yl}carbamate [ACD/IUPAC Name]
Benzyl-{(4R,5S)-4-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-2,2-dioxido-1,2,3-oxathiazinan-5-yl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(4R,5S)-4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]tetrahydro-2,2-dioxido-1,2,3-oxathiazin-5-yl]-, phenylmethyl ester [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.565
Molar Refractivity: 105.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.48
ACD/KOC (pH 5.5): 302.18
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.12
ACD/KOC (pH 7.4): 296.90
Polar Surface Area: 140 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 323.6±5.0 cm3

Click to predict properties on the Chemicalize site


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