Found 4 results

Search term: DGMSJCVOBYTYTE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,2R)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol | C9H12O4

(1S,2R)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol

  • Molecular FormulaC9H12O4
  • Average mass184.189 Da
  • Monoisotopic mass184.073563 Da
  • ChemSpider ID62896357

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2R)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol [ACD/IUPAC Name]
(1S,2R)-1-(4-Hydroxyphényl)-1,2,3-propanetriol [French] [ACD/IUPAC Name]
(1S,2R)-1-(4-Hydroxyphenyl)-1,2,3-propantriol [German] [ACD/IUPAC Name]
1,2,3-Propanetriol, 1-(4-hydroxyphenyl)-, (1S,2R)- [ACD/Index Name]
25743-67-3 [RN]
rel-(1R,2S)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol
(1S,2R)-1-(4-hydroxyphenyl)propane-1,2,3-triol
1,2,3-Propanetriol, 1-(4-hydroxyphenyl)-, (1R,2S)-rel-
erythro-1-(4-Hydroxyphenyl)propane-1,2,3-triol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 455.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 234.7±21.9 °C
Index of Refraction: 1.636
Molar Refractivity: 46.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.19
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.93
ACD/LogD (pH 7.4): -0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.91
Polar Surface Area: 81 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 74.9±3.0 dyne/cm
Molar Volume: 130.8±3.0 cm3

Click to predict properties on the Chemicalize site


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