ChemSpider 2D Image | (3S,4R)-3,4-Dihydroxy-4-(4-nitrophenyl)-2-butanone | C10H11NO5

(3S,4R)-3,4-Dihydroxy-4-(4-nitrophenyl)-2-butanone

  • Molecular FormulaC10H11NO5
  • Average mass225.198 Da
  • Monoisotopic mass225.063721 Da
  • ChemSpider ID26946047

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4R)-3,4-Dihydroxy-4-(4-nitrophenyl)-2-butanon [German] [ACD/IUPAC Name]
(3S,4R)-3,4-Dihydroxy-4-(4-nitrophenyl)-2-butanone [ACD/IUPAC Name]
(3S,4R)-3,4-Dihydroxy-4-(4-nitrophényl)-2-butanone [French] [ACD/IUPAC Name]
2-Butanone, 3,4-dihydroxy-4-(4-nitrophenyl)-, (3S,4R)- [ACD/Index Name]
syn-(3S,4R)-3,4-dihydroxy-4-(4-nitrophenyl)butan-2-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 456.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 200.0±17.2 °C
Index of Refraction: 1.597
Molar Refractivity: 54.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.27
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.35
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.35
Polar Surface Area: 103 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 64.0±3.0 dyne/cm
Molar Volume: 160.4±3.0 cm3

Click to predict properties on the Chemicalize site


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