ChemSpider 2D Image | (3S,4S,6S)-2-(Hydroxymethyl)-6-(2-hydroxytridecyl)-3,4-piperidinediol | C19H39NO4

(3S,4S,6S)-2-(Hydroxymethyl)-6-(2-hydroxytridecyl)-3,4-piperidinediol

  • Molecular FormulaC19H39NO4
  • Average mass345.517 Da
  • Monoisotopic mass345.287903 Da
  • ChemSpider ID27022978

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(3S,4S,6S)-2-(Hydroxymethyl)-6-(2-hydroxytridecyl)-3,4-piperidindiol [German] [ACD/IUPAC Name]
(3S,4S,6S)-2-(Hydroxymethyl)-6-(2-hydroxytridecyl)-3,4-piperidinediol [ACD/IUPAC Name]
(3S,4S,6S)-2-(Hydroxyméthyl)-6-(2-hydroxytridécyl)-3,4-pipéridinediol [French] [ACD/IUPAC Name]
3,4-Piperidinediol, 2-(hydroxymethyl)-6-(2-hydroxytridecyl)-, (3S,4S,6S)- [ACD/Index Name]
batzellaside C

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

Density: 1.0±0.1 g/cm3
Boiling Point: 515.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.7±6.0 kJ/mol
Flash Point: 99.7±20.7 °C
Index of Refraction: 1.500
Molar Refractivity: 97.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 2.44
ACD/KOC (pH 5.5): 12.39
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 120.50
ACD/KOC (pH 7.4): 612.76
Polar Surface Area: 93 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 332.1±3.0 cm3

Click to predict properties on the Chemicalize site


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