ChemSpider 2D Image | (3S,4S,6S)-6-(2-Hydroxydodecyl)-2-(hydroxymethyl)-3,4-piperidinediol | C18H37NO4

(3S,4S,6S)-6-(2-Hydroxydodecyl)-2-(hydroxymethyl)-3,4-piperidinediol

  • Molecular FormulaC18H37NO4
  • Average mass331.491 Da
  • Monoisotopic mass331.272247 Da
  • ChemSpider ID27022977

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(3S,4S,6S)-6-(2-Hydroxydodecyl)-2-(hydroxymethyl)-3,4-piperidindiol [German] [ACD/IUPAC Name]
(3S,4S,6S)-6-(2-Hydroxydodecyl)-2-(hydroxymethyl)-3,4-piperidinediol [ACD/IUPAC Name]
(3S,4S,6S)-6-(2-Hydroxydodécyl)-2-(hydroxyméthyl)-3,4-pipéridinediol [French] [ACD/IUPAC Name]
3,4-Piperidinediol, 6-(2-hydroxydodecyl)-2-(hydroxymethyl)-, (3S,4S,6S)- [ACD/Index Name]
batzellaside A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 504.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.2±6.0 kJ/mol
Flash Point: 108.2±20.7 °C
Index of Refraction: 1.501
Molar Refractivity: 93.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 1.05
ACD/KOC (pH 5.5): 6.80
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 52.13
ACD/KOC (pH 7.4): 336.32
Polar Surface Area: 93 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 315.6±3.0 cm3

Click to predict properties on the Chemicalize site


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