ChemSpider 2D Image | Tetrahydroxysqualene | C30H50O4

Tetrahydroxysqualene

  • Molecular FormulaC30H50O4
  • Average mass474.716 Da
  • Monoisotopic mass474.370911 Da
  • ChemSpider ID24707695

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
Natural Product Updates

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

(6E,10E,14E,18E)-2,23-Bis(hydroxymethyl)-6,10,15,19-tetramethyl-2,6,10,14,18,22-tetracosahexaen-1,24-diol [German] [ACD/IUPAC Name]
(6E,10E,14E,18E)-2,23-Bis(hydroxymethyl)-6,10,15,19-tetramethyl-2,6,10,14,18,22-tetracosahexaene-1,24-diol [ACD/IUPAC Name]
(6E,10E,14E,18E)-2,23-Bis(hydroxyméthyl)-6,10,15,19-tétraméthyl-2,6,10,14,18,22-tétracosahexaène-1,24-diol [French] [ACD/IUPAC Name]
2,6,10,14,18,22-Tetracosahexaene-1,24-diol, 2,23-bis(hydroxymethyl)-6,10,15,19-tetramethyl-, (6E,10E,14E,18E)- [ACD/Index Name]
Tetrahydroxysqualene
(6E,10E,14E,18E)-2,23-bis(hydroxymethyl)-6,10,15,19-tetramethyltetracosa-2,6,10,14,18,22-hexaene-1,24-diol
1043629-23-7 [RN]
CID 25058109
MFCD20274846

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

Density: 1.0±0.1 g/cm3
Boiling Point: 628.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.6±6.0 kJ/mol
Flash Point: 254.0±24.7 °C
Index of Refraction: 1.530
Molar Refractivity: 146.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 7.53
ACD/LogD (pH 5.5): 6.89
ACD/BCF (pH 5.5): 101839.88
ACD/KOC (pH 5.5): 133735.42
ACD/LogD (pH 7.4): 6.89
ACD/BCF (pH 7.4): 101839.88
ACD/KOC (pH 7.4): 133735.42
Polar Surface Area: 81 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 474.3±3.0 cm3

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