ChemSpider 2D Image | (1R,2R,3R)-prephytoene diphosphate | C40H68O7P2

(1R,2R,3R)-prephytoene diphosphate

  • Molecular FormulaC40H68O7P2
  • Average mass722.911 Da
  • Monoisotopic mass722.444031 Da
  • ChemSpider ID21864822

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2R,3R)-prephytoene diphosphate
[(1R,2R,3R)-2-Methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethyl-1,5,9,13-pentadecatetraen-1-yl]-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]cyclopropyl]methyl trihydrogen (diphosphate)
{(1R,2R,3R)-2-Methyl-3-[(5E,9E)-2,6,10,14-tetramethyl-1,5,9,13-pentadecatetraen-1-yl]-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]cyclopropyl}methyl trihydrogen diphosphate [ACD/IUPAC Name]
{(1R,2R,3R)-2-Methyl-3-[(5E,9E)-2,6,10,14-tetramethyl-1,5,9,13-pentadecatetraen-1-yl]-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]cyclopropyl}methyltrihydrogendiphosphat [German] [ACD/IUPAC Name]
38005-61-7 [RN]
Diphosphoric acid, mono[[(1R,2R,3R)-2-methyl-3-[(5E,9E)-2,6,10,14-tetramethyl-1,5,9,13-pentadecatetraen-1-yl]-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]cyclopropyl]methyl] ester [ACD/Index Name]
Trihydrogénodiphosphate de {(1R,2R,3R)-2-méthyl-3-[(5E,9E)-2,6,10,14-tétraméthyl-1,5,9,13-pentadécatétraén-1-yl]-2-[(3E,7E)-4,8,12-triméthyl-3,7,11-tridécatrién-1-yl]cyclopropyl}méthyle [French] [ACD/IUPAC Name]
{(1R,2R,3R)-2-methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraen-1-yl]-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate
{[hydroxy({[(1R,2R,3R)-2-methyl-3-(2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraen-1-yl)-2-(4,8,12-trimethyltrideca-3,7,11-trien-1-yl)cyclopropyl]methoxy})phosphoryl]oxy}phosphonic acid
{hydroxy[(1R,2R,3R)-2-methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraen-1-yl]-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]cyclopropyl]methoxyphosphoryl}oxyphosphonic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.1±0.1 g/cm3
Boiling Point: 761.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 120.6±6.0 kJ/mol
Flash Point: 414.1±35.7 °C
Index of Refraction: 1.529
Molar Refractivity: 208.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 13.09
ACD/LogD (pH 5.5): 6.67
ACD/BCF (pH 5.5): 5664.74
ACD/KOC (pH 5.5): 869.45
ACD/LogD (pH 7.4): 5.98
ACD/BCF (pH 7.4): 1140.72
ACD/KOC (pH 7.4): 175.08
Polar Surface Area: 133 Å2
Polarizability: 82.6±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 675.2±3.0 cm3

Click to predict properties on the Chemicalize site


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