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Search term: RVCNKTPCHZNAAO-UZDKSQMHSA-K (Found by InChIKey (full match))
ChemSpider 2D Image | Diphosphoric acid, mono[[(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] ester, ion(3-) | C40H65O7P2

Diphosphoric acid, mono[[(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] ester, ion(3-)

  • Molecular FormulaC40H65O7P2
  • Average mass719.889 Da
  • Monoisotopic mass719.422180 Da
  • ChemSpider ID26331006

  • Charge - Charge

    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

Diphosphoric acid, mono[[(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] ester, ion(3-) [ACD/Index Name]
(1R,2R,3R)-prephytoene diphosphate
(1R,2R,3R)-prephytoene diphosphate trianion
(1R,2R,3R)-prephytoene diphosphate(3-)
{(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 diphosphate
  • Miscellaneous

    • Chemical Class:

      Trianin of (1R,2R,3R)-prephytoene diphosphate arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. ChEBI CHEBI:58011

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

Density:
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:
Molar Refractivity:
#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: 141 Å2
Polarizability:
Surface Tension:
Molar Volume:

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