ChemSpider 2D Image | all-trans-heptaprenyl diphosphate | C35H60O7P2

all-trans-heptaprenyl diphosphate

  • Molecular FormulaC35H60O7P2
  • Average mass654.794 Da
  • Monoisotopic mass654.381409 Da
  • ChemSpider ID4444257

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-Heptamethyl-2,6,10,14,18,22,26-octacosaheptaen-1-yl trihydrogen diphosphate [ACD/IUPAC Name]
(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-Heptamethyl-2,6,10,14,18,22,26-octacosaheptaen-1-yltrihydrogendiphosphat [German] [ACD/IUPAC Name]
all-trans-heptaprenyl diphosphate
Diphosphoric acid, mono[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaen-1-yl] ester [ACD/Index Name]
Trihydrogénodiphosphate de (2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptaméthyl-2,6,10,14,18,22,26-octacosaheptaén-1-yle [French] [ACD/IUPAC Name]
({[(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl trihydrogen diphosphate
(E)-heptaprenyl diphosphate
[({[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid
{[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]oxy(hydroxy)phosphoryl}oxyphosphonic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C04216 [DBID]
CHEBI:17613 [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: 726.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 115.4±6.0 kJ/mol
Flash Point: 392.9±35.7 °C
Index of Refraction: 1.516
Molar Refractivity: 185.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 11.27
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 67.20
ACD/KOC (pH 5.5): 36.32
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 13.51
ACD/KOC (pH 7.4): 7.30
Polar Surface Area: 133 Å2
Polarizability: 73.5±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 613.7±3.0 cm3

Click to predict properties on the Chemicalize site


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