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Search term: ATZKAUGGNMSCCY-VYCBRMPGSA-K (Found by InChIKey (full match))
ChemSpider 2D Image | presqualene diphosphate(3-) | C30H49O7P2

presqualene diphosphate(3-)

  • Molecular FormulaC30H49O7P2
  • Average mass583.655 Da
  • Monoisotopic mass583.296997 Da
  • ChemSpider ID27471281

  • 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[[(1S,2S,3S)-2-[(3E)-4,8-dimethyl-3,7-nonadien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethyl-1,5,9-undecatrien-1-yl]cyclopropyl]methyl] ester, ion(3-) [ACD/Index Name]
presqualene diphosphate(3-)
{(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(2E,6E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropan-1-yl}methyl diphosphate
presqualene diphosphate

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

CHEBI:57310 [DBID]
  • Miscellaneous

    • Chemical Class:

      A triply-charged organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of presqualene diphosphate. ChEBI CHEBI:57310

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

Density:
Boiling Point: 665.2±63.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±6.0 kJ/mol
Flash Point: 356.1±33.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 9.02
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 10.25
ACD/KOC (pH 5.5): 9.47
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 2.06
ACD/KOC (pH 7.4): 1.91
Polar Surface Area: 141 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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