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Search term: 78438658 (Found by CSID)
ChemSpider 2D Image | (2S,3S,4S)-2-(4-Hydroxybenzyl)-3,4-pyrrolidinediol | C11H15NO3

(2S,3S,4S)-2-(4-Hydroxybenzyl)-3,4-pyrrolidinediol

  • Molecular FormulaC11H15NO3
  • Average mass209.242 Da
  • Monoisotopic mass209.105194 Da
  • ChemSpider ID78438658

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S,4S)-2-(4-Hydroxybenzyl)-3,4-pyrrolidindiol [German] [ACD/IUPAC Name]
(2S,3S,4S)-2-(4-Hydroxybenzyl)-3,4-pyrrolidinediol [ACD/IUPAC Name]
(2S,3S,4S)-2-(4-Hydroxybenzyl)-3,4-pyrrolidinediol [French] [ACD/IUPAC Name]
3,4-Pyrrolidinediol, 2-[(4-hydroxyphenyl)methyl]-, (2S,3S,4S)- [ACD/Index Name]
Deacetyldemethylanisomycin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 421.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 194.8±17.9 °C
Index of Refraction: 1.640
Molar Refractivity: 56.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.47
ACD/LogD (pH 5.5): -3.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 155.5±3.0 cm3

Click to predict properties on the Chemicalize site


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