Found 7 results

Search term: IFPBIAXQORQOIY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | SERTRALINE CARBAMOYL GLUCURONIDE | C24H25Cl2NO8

SERTRALINE CARBAMOYL GLUCURONIDE

  • Molecular FormulaC24H25Cl2NO8
  • Average mass526.363 Da
  • Monoisotopic mass525.095703 Da
  • ChemSpider ID32702255

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

119733-44-7 [RN]
1-O-{[(1S,4S)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenyl](methyl)carbamoyl}-β-D-glucopyranuronic acid [ACD/IUPAC Name]
1-O-{[(1S,4S)-4-(3,4-Dichlorphenyl)-1,2,3,4-tetrahydro-1-naphthalinyl](methyl)carbamoyl}-β-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
Acide 1-O-{[(1S,4S)-4-(3,4-dichlorophényl)-1,2,3,4-tétrahydro-1-naphtalényl](méthyl)carbamoyl}-β-D-glucopyranuronique [French] [ACD/IUPAC Name]
SERTRALINE CARBAMOYL GLUCURONIDE
Sertraline carbamoyl-O-glucuronide
β-D-Glucopyranuronic acid, 1-[[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenyl]methylcarbamate] [ACD/Index Name]

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

42M7V4CERF [DBID]
UNII:42M7V4CERF [DBID]
UNII-42M7V4CERF [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 726.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 393.2±32.9 °C
Index of Refraction: 1.677
Molar Refractivity: 126.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.71
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 80.2±5.0 dyne/cm
Molar Volume: 335.1±5.0 cm3

Click to predict properties on the Chemicalize site


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