ChemSpider 2D Image | (2R,3R,4R,5R)-2-(3-Hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-3,4-pyrrolidinediol | C12H17NO5

(2R,3R,4R,5R)-2-(3-Hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-3,4-pyrrolidinediol

  • Molecular FormulaC12H17NO5
  • Average mass255.267 Da
  • Monoisotopic mass255.110672 Da
  • ChemSpider ID24534197

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3R,4R,5R)-2-(3-Hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-3,4-pyrrolidindiol [German] [ACD/IUPAC Name]
(2R,3R,4R,5R)-2-(3-Hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-3,4-pyrrolidinediol [ACD/IUPAC Name]
(2R,3R,4R,5R)-2-(3-Hydroxy-4-méthoxyphényl)-5-(hydroxyméthyl)-3,4-pyrrolidinediol [French] [ACD/IUPAC Name]
(2R,3R,4R,5R)-2-(3-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
3,4-Pyrrolidinediol, 2-(3-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-, (2R,3R,4R,5R)- [ACD/Index Name]
3,4-PYRROLIDINEDIOL, 2-(3-HYDROXY-4-METHOXYPHENYL)-5-(HYDROXYMETHYL)-,(2R,3R,4R,5R)-
431981-74-7 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL468063/
RADICAMINE 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: 498.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 255.5±28.7 °C
Index of Refraction: 1.615
Molar Refractivity: 64.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.57
ACD/LogD (pH 5.5): -3.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 183.9±3.0 cm3

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