ChemSpider 2D Image | (2Z,6Z,10Z,14Z,18Z,22E,26E)-3,7,11,15,19,23,27,31-Octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl trihydrogen diphosphate | C40H68O7P2

(2Z,6Z,10Z,14Z,18Z,22E,26E)-3,7,11,15,19,23,27,31-Octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl trihydrogen diphosphate

  • Molecular FormulaC40H68O7P2
  • Average mass722.911 Da
  • Monoisotopic mass722.444031 Da
  • ChemSpider ID30791662
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z,6Z,10Z,14Z,18Z,22E,26E)-3,7,11,15,19,23,27,31-Octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl trihydrogen diphosphate [ACD/IUPAC Name]
(2Z,6Z,10Z,14Z,18Z,22E,26E)-3,7,11,15,19,23,27,31-Octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yltrihydrogendiphosphat [German] [ACD/IUPAC Name]
(2z,6z,10z,14z,18z,22e,26e)-3,7,11,15,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18,22,26,30-Octaen-1-Yl Trihydrogen Diphosphate
Diphosphoric acid, mono[(2Z,6Z,10Z,14Z,18Z,22E,26E)-3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl] ester [ACD/Index Name]
Trihydrogénodiphosphate de (2Z,6Z,10Z,14Z,18Z,22E,26E)-3,7,11,15,19,23,27,31-octaméthyl-2,6,10,14,18,22,26,30-dotriacontaoctaén-1-yle [French] [ACD/IUPAC Name]
ditrans,pentacis-Octaprenyl diphosphate
di-trans,poly-cis-Octaprenyl diphosphate
VTP

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 769.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 121.9±6.0 kJ/mol
Flash Point: 419.3±35.7 °C
Index of Refraction: 1.516
Molar Refractivity: 208.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 13.31
ACD/LogD (pH 5.5): 5.99
ACD/BCF (pH 5.5): 1720.84
ACD/KOC (pH 5.5): 370.03
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 346.04
ACD/KOC (pH 7.4): 74.41
Polar Surface Area: 133 Å2
Polarizability: 82.6±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 689.7±3.0 cm3

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