Found 1 result

Search term: 78436626 (Found by CSID)
ChemSpider 2D Image | 6-[2-(Dimethoxymethyl)-6-hydroxy-4-methylphenoxy]-3-[(1S)-1-hydroxy-3-methylbutyl]-2-methoxybenzoic acid | C23H30O8

6-[2-(Dimethoxymethyl)-6-hydroxy-4-methylphenoxy]-3-[(1S)-1-hydroxy-3-methylbutyl]-2-methoxybenzoic acid

  • Molecular FormulaC23H30O8
  • Average mass434.479 Da
  • Monoisotopic mass434.194061 Da
  • ChemSpider ID78436626

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

6-[2-(Dimethoxymethyl)-6-hydroxy-4-methylphenoxy]-3-[(1S)-1-hydroxy-3-methylbutyl]-2-methoxybenzoesäure [German] [ACD/IUPAC Name]
6-[2-(Dimethoxymethyl)-6-hydroxy-4-methylphenoxy]-3-[(1S)-1-hydroxy-3-methylbutyl]-2-methoxybenzoic acid [ACD/IUPAC Name]
Acide 6-[2-(diméthoxyméthyl)-6-hydroxy-4-méthylphénoxy]-3-[(1S)-1-hydroxy-3-méthylbutyl]-2-méthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 6-[2-(dimethoxymethyl)-6-hydroxy-4-methylphenoxy]-3-[(1S)-1-hydroxy-3-methylbutyl]-2-methoxy- [ACD/Index Name]
(S)-tenellic acid B dimethyl acetal

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

Density: 1.2±0.1 g/cm3
Boiling Point: 535.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 175.3±23.6 °C
Index of Refraction: 1.565
Molar Refractivity: 115.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.06
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 355.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement