ChemSpider 2D Image | 3-Hydroxy-7-[(2E)-4-hydroxy-2-buten-2-yl]-8-(3-hydroxypropanoyl)-3,6,8-trimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenecarboxylic acid | C21H32O6

3-Hydroxy-7-[(2E)-4-hydroxy-2-buten-2-yl]-8-(3-hydroxypropanoyl)-3,6,8-trimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenecarboxylic acid

  • Molecular FormulaC21H32O6
  • Average mass380.475 Da
  • Monoisotopic mass380.219879 Da
  • ChemSpider ID77484147

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Naphthalenecarboxylic acid, 1,2,3,4,4a,7,8,8a-octahydro-3-hydroxy-7-[(1E)-3-hydroxy-1-methyl-1-propen-1-yl]-8-(3-hydroxy-1-oxopropyl)-3,6,8-trimethyl- [ACD/Index Name]
3-Hydroxy-7-[(2E)-4-hydroxy-2-buten-2-yl]-8-(3-hydroxypropanoyl)-3,6,8-trimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenecarboxylic acid [ACD/IUPAC Name]
3-Hydroxy-7-[(2E)-4-hydroxy-2-buten-2-yl]-8-(3-hydroxypropanoyl)-3,6,8-trimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalincarbonsäure [German] [ACD/IUPAC Name]
Acide 3-hydroxy-7-[(2E)-4-hydroxy-2-butén-2-yl]-8-(3-hydroxypropanoyl)-3,6,8-triméthyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphtalènecarboxylique [French] [ACD/IUPAC Name]
3-hydroxy-7-[(E)-4-hydroxybut-2-en-2-yl]-8-(3-hydroxypropanoyl)-3,6,8-trimethyl-1,2,4,4a,7,8a-hexahydronaphthalene-1-carboxylic acid
Compound NP-001141

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

Density: 1.2±0.1 g/cm3
Boiling Point: 581.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.8±6.0 kJ/mol
Flash Point: 319.5±26.6 °C
Index of Refraction: 1.543
Molar Refractivity: 100.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.41
ACD/LogD (pH 7.4): -1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 319.1±3.0 cm3

Click to predict properties on the Chemicalize site


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