ChemSpider 2D Image | copal-8-ol diphosphate(3-) | C20H35O8P2

copal-8-ol diphosphate(3-)

  • Molecular FormulaC20H35O8P2
  • Average mass465.436 Da
  • Monoisotopic mass465.182373 Da
  • ChemSpider ID27471442

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

copal-8-ol diphosphate(3-)
Diphosphoric acid, mono[(2E)-5-[(1R,2R,4aS,8aS)-decahydro-2-hydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]-3-methyl-2-penten-1-yl] ester, ion(3-) [ACD/Index Name]
(13<i>E</i>)-8&α
(13<i>E</i>)-8&α;-hydroxylabd-13-en-15-yl diphosphate
(13<i>E</i>)-8&α;-hydroxylabda-13-en-15-yl diphosphate
(13E)-8α-hydroxylabda-13-en-15-yl diphosphate
8-hydroxycopalyl diphosphate
copal-8-ol diphosphate
copal-8-ol diphosphate trianion
-hydroxylabd-13-en-15-yl diphosphate

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

CHEBI:64283 [DBID]
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of copal-8-ol diphosphate; major species at pH 7.3. ChEBI CHEBI:64283

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

Density:
Boiling Point: 591.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 311.3±30.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): -2.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability:
Surface Tension:
Molar Volume:

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