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Search term: 70951784 (Found by CSID)
ChemSpider 2D Image | asperteretal G1 | C23H26O6

asperteretal G1

  • Molecular FormulaC23H26O6
  • Average mass398.449 Da
  • Monoisotopic mass398.172943 Da
  • ChemSpider ID70951784

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-2-[4-Hydroxy-3-(3-methyl-2-buten-1-yl)benzyl]-3-(4-hydroxyphenyl)-4-methoxy-4-oxobutanoic acid [ACD/IUPAC Name]
(2R,3S)-2-[4-Hydroxy-3-(3-methyl-2-buten-1-yl)benzyl]-3-(4-hydroxyphenyl)-4-methoxy-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide (2R,3S)-2-[4-hydroxy-3-(3-méthyl-2-butén-1-yl)benzyl]-3-(4-hydroxyphényl)-4-méthoxy-4-oxobutanoïque [French] [ACD/IUPAC Name]
asperteretal G1
Butanedioic acid, 2-[[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]methyl]-3-(4-hydroxyphenyl)-, 4-methyl ester, (2R,3S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 588.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 201.0±23.6 °C
Index of Refraction: 1.596
Molar Refractivity: 109.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 21.74
ACD/KOC (pH 5.5): 128.46
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.21
Polar Surface Area: 104 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 320.8±3.0 cm3

Click to predict properties on the Chemicalize site


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