ChemSpider 2D Image | Diphosphoric acid, mono[(2E)-5-[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]-3-methyl-2-penten-1-yl] ester, ion(3-) | C20H33O7P2

Diphosphoric acid, mono[(2E)-5-[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]-3-methyl-2-penten-1-yl] ester, ion(3-)

  • Molecular FormulaC20H33O7P2
  • Average mass447.421 Da
  • Monoisotopic mass447.171783 Da
  • ChemSpider ID26331277

  • 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[(2E)-5-[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]-3-methyl-2-penten-1-yl] ester, ion(3-) [ACD/Index Name]
(+)-copalyl diphosphate
1α,4aα,8aβ-labda-8(20),13-dien-15-yl diphosphate
1α,4aα,8aβ-labda-8(20),13-dien-15-yl diphosphate; 3-methyl-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl diphosphate
3-methyl-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl diphosphate
5α,9α,10β-labda-8(20),13-dien-15-yl diphosphate(3-)
Labdadienyl diphosphate

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

Density:
Boiling Point: 563.4±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 92.6±6.0 kJ/mol
Flash Point: 294.5±28.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.35
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability:
Surface Tension:
Molar Volume:

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