ChemSpider 2D Image | (3S,5R)-1-[(Benzyloxy)carbonyl]-5-hydroxy-3-piperidinecarboxylic acid | C14H17NO5

(3S,5R)-1-[(Benzyloxy)carbonyl]-5-hydroxy-3-piperidinecarboxylic acid

  • Molecular FormulaC14H17NO5
  • Average mass279.289 Da
  • Monoisotopic mass279.110687 Da
  • ChemSpider ID96446026

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,5R)-1-[(Benzyloxy)carbonyl]-5-hydroxy-3-piperidincarbonsäure [German] [ACD/IUPAC Name]
(3S,5R)-1-[(Benzyloxy)carbonyl]-5-hydroxy-3-piperidinecarboxylic acid [ACD/IUPAC Name]
1,3-Piperidinedicarboxylic acid, 5-hydroxy-, 1-(phenylmethyl) ester, (3S,5R)- [ACD/Index Name]
Acide (3S,5R)-1-[(benzyloxy)carbonyl]-5-hydroxy-3-pipéridinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 495.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 253.5±28.7 °C
Index of Refraction: 1.596
Molar Refractivity: 69.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.43
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.55
ACD/LogD (pH 7.4): -2.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 64.7±3.0 dyne/cm
Molar Volume: 205.1±3.0 cm3

Click to predict properties on the Chemicalize site


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