ChemSpider 2D Image | (3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32,36-Nonamethyl-3,7,11,15,19,23,27,31,35-heptatriacontanonaen-1-yl trihydrogen diphosphate | C46H78O7P2

(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32,36-Nonamethyl-3,7,11,15,19,23,27,31,35-heptatriacontanonaen-1-yl trihydrogen diphosphate

  • Molecular FormulaC46H78O7P2
  • Average mass805.055 Da
  • Monoisotopic mass804.522278 Da
  • ChemSpider ID10128123

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32,36-Nonamethyl-3,7,11,15,19,23,27,31,35-heptatriacontanonaen-1-yl trihydrogen diphosphate [ACD/IUPAC Name]
(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32,36-Nonamethyl-3,7,11,15,19,23,27,31,35-heptatriacontanonaen-1-yltrihydrogendiphosphat [German] [ACD/IUPAC Name]
Diphosphoric acid, mono[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32,36-nonamethyl-3,7,11,15,19,23,27,31,35-heptatriacontanonaen-1-yl] ester [ACD/Index Name]
Trihydrogénodiphosphate de (3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32,36-nonaméthyl-3,7,11,15,19,23,27,31,35-heptatriacontanonaén-1-yle [French] [ACD/IUPAC Name]
Solanesyl diphosphate
Solanesyl pyrophosphate

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

C03432 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 820.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 129.5±6.0 kJ/mol
Flash Point: 449.8±37.1 °C
Index of Refraction: 1.516
Molar Refractivity: 236.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: 15.79
ACD/LogD (pH 5.5): 8.64
ACD/BCF (pH 5.5): 176087.67
ACD/KOC (pH 5.5): 10171.56
ACD/LogD (pH 7.4): 7.94
ACD/BCF (pH 7.4): 35445.49
ACD/KOC (pH 7.4): 2047.48
Polar Surface Area: 133 Å2
Polarizability: 93.6±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 782.1±3.0 cm3

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