ChemSpider 2D Image | (2R)-2,4-Dihydroxy-N-[3-hydroxy(1,1,3,3-~2~H_4_)propyl]-3,3-dimethylbutanamide | C9H15D4NO4

(2R)-2,4-Dihydroxy-N-[3-hydroxy(1,1,3,3-2H4)propyl]-3,3-dimethylbutanamide

  • Molecular FormulaC9H15D4NO4
  • Average mass209.276 Da
  • Monoisotopic mass209.156509 Da
  • ChemSpider ID94269983

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R)-2,4-Dihydroxy-N-[3-hydroxy(1,1,3,3-2H4)propyl]-3,3-dimethylbutanamid [German] [ACD/IUPAC Name]
(2R)-2,4-Dihydroxy-N-[3-hydroxy(1,1,3,3-2H4)propyl]-3,3-dimethylbutanamide [ACD/IUPAC Name]
(2R)-2,4-Dihydroxy-N-[3-hydroxy(1,1,3,3-2H4)propyl]-3,3-diméthylbutanamide [French] [ACD/IUPAC Name]
Butanamide, 2,4-dihydroxy-N-(3-hydroxypropyl-1,1,3,3-d4)-3,3-dimethyl-, (2R)- [ACD/Index Name]
D-Panthenol D4

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

Density: 1.2±0.1 g/cm3
Boiling Point: 483.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.3±6.0 kJ/mol
Flash Point: 246.3±28.7 °C
Index of Refraction: 1.502
Molar Refractivity: 51.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.92
ACD/LogD (pH 5.5): -1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.66
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.66
Polar Surface Area: 90 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 176.0±3.0 cm3

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