ChemSpider 2D Image | (20R,21S,22R)-20-Amino-19,21,22-trihydroxy-18-hexatriacontanone | C36H73NO4

(20R,21S,22R)-20-Amino-19,21,22-trihydroxy-18-hexatriacontanone

  • Molecular FormulaC36H73NO4
  • Average mass583.969 Da
  • Monoisotopic mass583.553955 Da
  • ChemSpider ID67159002

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(20R,21S,22R)-20-Amino-19,21,22-trihydroxy-18-hexatriacontanon [German] [ACD/IUPAC Name]
(20R,21S,22R)-20-Amino-19,21,22-trihydroxy-18-hexatriacontanone [ACD/IUPAC Name]
(20R,21S,22R)-20-Amino-19,21,22-trihydroxy-18-hexatriacontanone [French] [ACD/IUPAC Name]
18-Hexatriacontanone, 20-amino-19,21,22-trihydroxy-, (20R,21S,22R)- [ACD/Index Name]
stearoylphytosphingosine

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

Density: 0.9±0.1 g/cm3
Boiling Point: 699.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.1±6.0 kJ/mol
Flash Point: 377.0±31.5 °C
Index of Refraction: 1.484
Molar Refractivity: 176.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 3
ACD/LogP: 15.12
ACD/LogD (pH 5.5): 10.15
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 611702.88
ACD/LogD (pH 7.4): 11.86
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 104 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 617.6±3.0 cm3

Click to predict properties on the Chemicalize site


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