ChemSpider 2D Image | (2S,3R,4S)-2-[(1R)-1,2-Dihydroxyethyl]-3,4-pyrrolidinediol | C6H13NO4

(2S,3R,4S)-2-[(1R)-1,2-Dihydroxyethyl]-3,4-pyrrolidinediol

  • Molecular FormulaC6H13NO4
  • Average mass163.172 Da
  • Monoisotopic mass163.084457 Da
  • ChemSpider ID61394803

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3R,4S)-2-[(1R)-1,2-Dihydroxyethyl]-3,4-pyrrolidindiol [German] [ACD/IUPAC Name]
(2S,3R,4S)-2-[(1R)-1,2-Dihydroxyethyl]-3,4-pyrrolidinediol [ACD/IUPAC Name]
(2S,3R,4S)-2-[(1R)-1,2-Dihydroxyéthyl]-3,4-pyrrolidinediol [French] [ACD/IUPAC Name]
3,4-Pyrrolidinediol, 2-[(1R)-1,2-dihydroxyethyl]-, (2S,3R,4S)- [ACD/Index Name]
762213-30-9 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 448.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.6±6.0 kJ/mol
Flash Point: 258.0±17.9 °C
Index of Refraction: 1.597
Molar Refractivity: 37.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -2.29
ACD/LogD (pH 5.5): -4.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 81.8±3.0 dyne/cm
Molar Volume: 109.3±3.0 cm3

Click to predict properties on the Chemicalize site


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