ChemSpider 2D Image | all-trans-hexaprenyl diphosphate | C30H52O7P2

all-trans-hexaprenyl diphosphate

  • Molecular FormulaC30H52O7P2
  • Average mass586.677 Da
  • Monoisotopic mass586.318848 Da
  • ChemSpider ID4444089

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,6E,10E,14E,18E)-3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaen-1-yl trihydrogen diphosphate [ACD/IUPAC Name]
(2E,6E,10E,14E,18E)-3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaen-1-yltrihydrogendiphosphat [German] [ACD/IUPAC Name]
all-trans-hexaprenyl diphosphate
Diphosphoric acid, mono[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaen-1-yl] ester [ACD/Index Name]
Trihydrogénodiphosphate de (2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexaméthyl-2,6,10,14,18,22-tétracosahexaén-1-yle [French] [ACD/IUPAC Name]
({[(3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl trihydrogen diphosphate
(E)-hexaprenyl diphosphate
[({[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid
{[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy(hydroxy)phosphoryl}oxyphosphonic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C01230 [DBID]
CHEBI:17528 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 680.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 108.8±6.0 kJ/mol
Flash Point: 365.4±34.3 °C
Index of Refraction: 1.515
Molar Refractivity: 162.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 9.24
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 3.76
ACD/KOC (pH 5.5): 4.61
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 537.8±3.0 cm3

Click to predict properties on the Chemicalize site


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