ChemSpider 2D Image | (3S,4S,5S)-3,4-Dihydroxy-5-(4-hydroxybenzyl)-1,3-dimethyl-2-pyrrolidinone | C13H17NO4

(3S,4S,5S)-3,4-Dihydroxy-5-(4-hydroxybenzyl)-1,3-dimethyl-2-pyrrolidinone

  • Molecular FormulaC13H17NO4
  • Average mass251.278 Da
  • Monoisotopic mass251.115753 Da
  • ChemSpider ID24660596

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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(3S,4S,5S)-3,4-Dihydroxy-5-(4-hydroxybenzyl)-1,3-dimethyl-2-pyrrolidinon [German] [ACD/IUPAC Name]
(3S,4S,5S)-3,4-Dihydroxy-5-(4-hydroxybenzyl)-1,3-dimethyl-2-pyrrolidinone [ACD/IUPAC Name]
(3S,4S,5S)-3,4-Dihydroxy-5-(4-hydroxybenzyl)-1,3-diméthyl-2-pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone, 3,4-dihydroxy-5-[(4-hydroxyphenyl)methyl]-1,3-dimethyl-, (3S,4S,5S)- [ACD/Index Name]
RIGIDIUSCULAMIDE A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 473.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 240.2±28.7 °C
Index of Refraction: 1.627
Molar Refractivity: 65.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.04
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.34
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.28
Polar Surface Area: 81 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 65.6±3.0 dyne/cm
Molar Volume: 185.4±3.0 cm3

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