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Search term: 78436710 (Found by CSID)
ChemSpider 2D Image | (2S,3S,4S)-4-Hydroxy-2-(4-hydroxybenzyl)-3-pyrrolidinyl propionate | C14H19NO4

(2S,3S,4S)-4-Hydroxy-2-(4-hydroxybenzyl)-3-pyrrolidinyl propionate

  • Molecular FormulaC14H19NO4
  • Average mass265.305 Da
  • Monoisotopic mass265.131409 Da
  • ChemSpider ID78436710

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S,4S)-4-Hydroxy-2-(4-hydroxybenzyl)-3-pyrrolidinyl propionate [ACD/IUPAC Name]
(2S,3S,4S)-4-Hydroxy-2-(4-hydroxybenzyl)-3-pyrrolidinylpropionat [German] [ACD/IUPAC Name]
3,4-Pyrrolidinediol, 2-[(4-hydroxyphenyl)methyl]-, 3-propanoate, (2S,3S,4S)- [ACD/Index Name]
Propionate de (2S,3S,4S)-4-hydroxy-2-(4-hydroxybenzyl)-3-pyrrolidinyle [French] [ACD/IUPAC Name]
3097-B2

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

Density: 1.3±0.1 g/cm3
Boiling Point: 431.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 214.6±28.7 °C
Index of Refraction: 1.584
Molar Refractivity: 70.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.30
ACD/LogD (pH 5.5): -1.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.95
Polar Surface Area: 79 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 210.0±5.0 cm3

Click to predict properties on the Chemicalize site


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