ChemSpider 2D Image | (4S,5S,6R)-6-(Hydroxymethyl)-1,2-oxazinane-4,5-diol | C5H11NO4

(4S,5S,6R)-6-(Hydroxymethyl)-1,2-oxazinane-4,5-diol

  • Molecular FormulaC5H11NO4
  • Average mass149.145 Da
  • Monoisotopic mass149.068802 Da
  • ChemSpider ID62910979

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S,5S,6R)-6-(Hydroxymethyl)-1,2-oxazinan-4,5-diol [German] [ACD/IUPAC Name]
(4S,5S,6R)-6-(Hydroxymethyl)-1,2-oxazinane-4,5-diol [ACD/IUPAC Name]
(4S,5S,6R)-6-(Hydroxyméthyl)-1,2-oxazinane-4,5-diol [French] [ACD/IUPAC Name]
2H-1,2-Oxazine-4,5-diol, tetrahydro-6-(hydroxymethyl)-, (4S,5S,6R)- [ACD/Index Name]
226081-48-7 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 295.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.1±6.0 kJ/mol
Flash Point: 132.7±30.1 °C
Index of Refraction: 1.531
Molar Refractivity: 32.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.91
ACD/LogD (pH 5.5): -1.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.63
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.65
Polar Surface Area: 82 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 106.1±3.0 cm3

Click to predict properties on the Chemicalize site


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