Found 1 result

Search term: MGQVKBCOMTVQOO-GNUCVDFRSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4,5-Dihydroxy-3-{7-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-1H-indol-3-yl}-1,2-benzoquinone | C29H33NO4

4,5-Dihydroxy-3-{7-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-1H-indol-3-yl}-1,2-benzoquinone

  • Molecular FormulaC29H33NO4
  • Average mass459.577 Da
  • Monoisotopic mass459.240967 Da
  • ChemSpider ID23176104

  • Double-bond stereo - Double-bond stereo

More details:

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

3,5-Cyclohexadiene-1,2-dione, 4,5-dihydroxy-3-[7-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-1H-indol-3-yl]- [ACD/Index Name]
4,5-Dihydroxy-3-{7-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-1H-indol-3-yl}-1,2-benzochinon [German] [ACD/IUPAC Name]
4,5-Dihydroxy-3-{7-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-1H-indol-3-yl}-1,2-benzoquinone [ACD/IUPAC Name]
4,5-Dihydroxy-3-{7-[(2E,6E)-3,7,11-triméthyl-2,6,10-dodécatrién-1-yl]-1H-indol-3-yl}-1,2-benzoquinone [French] [ACD/IUPAC Name]
4,5-dihydroxy-3-{7-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-1H-indol-3-yl}cyclohexa-3,5-diene-1,2-dione
2,5-Dihydroxy-3-[7-(3,7,11-trimethyl-dodeca-2,6,10-trienyl)-1H-indol-3-yl]-[1,4]benzoquinone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL314400/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 615.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 326.1±31.5 °C
Index of Refraction: 1.641
Molar Refractivity: 136.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.97
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 1707.09
ACD/KOC (pH 5.5): 3068.44
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 32.44
ACD/KOC (pH 7.4): 58.31
Polar Surface Area: 90 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 378.3±3.0 cm3

Click to predict properties on the Chemicalize site


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