ChemSpider 2D Image | MFCD00274051 | C16H19NO5

MFCD00274051

  • Molecular FormulaC16H19NO5
  • Average mass305.326 Da
  • Monoisotopic mass305.126312 Da
  • ChemSpider ID22901031
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1R,2R,3S,5S)-3-[(4-Hydroxybenzoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octan-2-carbonsäure [German] [ACD/IUPAC Name]
(1R,2R,3S,5S)-3-[(4-Hydroxybenzoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid [ACD/IUPAC Name]
4-HYDROXYBENZOYLECGONINE
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-[(4-hydroxybenzoyl)oxy]-8-methyl-, (1R,2R,3S,5S)- [ACD/Index Name]
90899-22-2 [RN]
Acide (1R,2R,3S,5S)-3-[(4-hydroxybenzoyl)oxy]-8-méthyl-8-azabicyclo[3.2.1]octane-2-carboxylique [French] [ACD/IUPAC Name]
MFCD00274051
P-HYDROXYBENZOYLECGONINE

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

6X7BR62K04 [DBID]
UNII:6X7BR62K04 [DBID]
UNII-6X7BR62K04 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 502.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 257.9±30.1 °C
Index of Refraction: 1.625
Molar Refractivity: 77.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.25
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.06
Polar Surface Area: 87 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 220.0±5.0 cm3

Click to predict properties on the Chemicalize site






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