ChemSpider 2D Image | (2E,6E,10E,14E,19S,23S,27S,31S)-3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,14,34-hexatriacontapentaene-1,19,23,27,31-pentol | C45H82O5

(2E,6E,10E,14E,19S,23S,27S,31S)-3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,14,34-hexatriacontapentaene-1,19,23,27,31-pentol

  • Molecular FormulaC45H82O5
  • Average mass703.130 Da
  • Monoisotopic mass702.616211 Da
  • ChemSpider ID9460482

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2E,6E,10E,14E,19S,23S,27S,31S)-3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,14,34-hexatriacontapentaen-1,19,23,27,31-pentol [German] [ACD/IUPAC Name]
(2E,6E,10E,14E,19S,23S,27S,31S)-3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,14,34-hexatriacontapentaene-1,19,23,27,31-pentol [ACD/IUPAC Name]
(2E,6E,10E,14E,19S,23S,27S,31S)-3,7,11,15,19,23,27,31,35-Nonaméthyl-2,6,10,14,34-hexatriacontapentaène-1,19,23,27,31-pentol [French] [ACD/IUPAC Name]
2,6,10,14,34-Hexatriacontapentaene-1,19,23,27,31-pentol, 3,7,11,15,19,23,27,31,35-nonamethyl-, (2E,6E,10E,14E,19S,23S,27S,31S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 779.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.2±6.0 kJ/mol
Flash Point: 272.4±27.5 °C
Index of Refraction: 1.511
Molar Refractivity: 217.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 3
ACD/LogP: 10.84
ACD/LogD (pH 5.5): 10.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.52
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 101 Å2
Polarizability: 86.3±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 726.1±3.0 cm3

Click to predict properties on the Chemicalize site


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