ChemSpider 2D Image | (2Z,4E)-5-[(1S,3S,5R,8S)-3,8-Dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]oct-8-yl]-3-methyl-2,4-pentadienoate | C15H21O5

(2Z,4E)-5-[(1S,3S,5R,8S)-3,8-Dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]oct-8-yl]-3-methyl-2,4-pentadienoate

  • Molecular FormulaC15H21O5
  • Average mass281.325 Da
  • Monoisotopic mass281.139435 Da
  • ChemSpider ID128920567

  • 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

(2Z,4E)-5-[(1S,3S,5R,8S)-3,8-Dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]oct-8-yl]-3-methyl-2,4-pentadienoat [German] [ACD/IUPAC Name]
(2Z,4E)-5-[(1S,3S,5R,8S)-3,8-Dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]oct-8-yl]-3-methyl-2,4-pentadienoate [ACD/IUPAC Name]
(2Z,4E)-5-[(1S,3S,5R,8S)-3,8-Dihydroxy-1,5-diméthyl-6-oxabicyclo[3.2.1]oct-8-yl]-3-méthyl-2,4-pentadiénoate [French] [ACD/IUPAC Name]
2,4-Pentadienoic acid, 5-[(1S,3S,5R,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]oct-8-yl]-3-methyl-, ion(1-), (2Z,4E)- [ACD/Index Name]
(-)-dihydroxyphaseic acid
dihydroxyphaseic acid
DPA

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

Density:
Boiling Point: 497.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.1±6.0 kJ/mol
Flash Point: 184.7±22.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.69
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 90 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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