ChemSpider 2D Image | tert-Butyl ((S)-1-hydroxy-3-((R)-tetrahydro-2H-pyran-3-yl)propan-2-yl)carbamate | C13H25NO4

tert-Butyl ((S)-1-hydroxy-3-((R)-tetrahydro-2H-pyran-3-yl)propan-2-yl)carbamate

  • Molecular FormulaC13H25NO4
  • Average mass259.342 Da
  • Monoisotopic mass259.178345 Da
  • ChemSpider ID28600445

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(2S)-1-Hydroxy-3-[(3R)-tétrahydro-2H-pyran-3-yl]-2-propanyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1,1-Dimethylethyl N-[(1S)-1-(hydroxymethyl)-2-[(3R)-tetrahydro-2H-pyran-3-yl]ethyl]carbamate
2-Methyl-2-propanyl {(2S)-1-hydroxy-3-[(3R)-tetrahydro-2H-pyran-3-yl]-2-propanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(2S)-1-hydroxy-3-[(3R)-tetrahydro-2H-pyran-3-yl]-2-propanyl}carbamat [German] [ACD/IUPAC Name]
942144-43-6 [RN]
Carbamic acid, N-[(1S)-2-hydroxy-1-[[(3R)-tetrahydro-2H-pyran-3-yl]methyl]ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl ((S)-1-hydroxy-3-((R)-tetrahydro-2H-pyran-3-yl)propan-2-yl)carbamate
Carbamic acid, N-[(1S)-1-(hydroxymethyl)-2-[(3R)-tetrahydro-2H-pyran-3-yl]ethyl]-, 1,1-dimethylethyl ester
MFCD11113063 [MDL number]
TERT-BUTYL N-[(2S)-1-HYDROXY-3-[(3R)-OXAN-3-YL]PROPAN-2-YL]CARBAMATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 397.6±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.9±6.0 kJ/mol
Flash Point: 194.3±20.9 °C
Index of Refraction: 1.474
Molar Refractivity: 68.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.72
ACD/KOC (pH 5.5): 202.64
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.72
ACD/KOC (pH 7.4): 202.63
Polar Surface Area: 68 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 244.3±3.0 cm3

Click to predict properties on the Chemicalize site


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