ChemSpider 2D Image | Linerixibat | C28H38N2O7S

Linerixibat

  • Molecular FormulaC28H38N2O7S
  • Average mass546.675 Da
  • Monoisotopic mass546.239990 Da
  • ChemSpider ID61717132

More details:

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

3-{[(3-Butyl-3-ethyl-7-methoxy-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl)methyl]amino}pentandisäure [German] [ACD/IUPAC Name]
3-{[(3-Butyl-3-ethyl-7-methoxy-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl)methyl]amino}pentanedioic acid [ACD/IUPAC Name]
Acide 3-{[(3-butyl-3-éthyl-7-méthoxy-1,1-dioxydo-5-phényl-2,3,4,5-tétrahydro-1,4-benzothiazépin-8-yl)méthyl]amino}pentanedioïque [French] [ACD/IUPAC Name]
linerixibat [Spanish] [INN]
Linerixibat [INN]
linérixibat [French] [INN]
linerixibatum [Latin] [INN]
Pentanedioic acid, 3-[[(3-butyl-3-ethyl-2,3,4,5-tetrahydro-7-methoxy-1,1-dioxido-5-phenyl-1,4-benzothiazepin-8-yl)methyl]amino]- [ACD/Index Name]
利奈昔巴特 [Chinese] [INN]
(1R,2S,3R,4S)-cyclohex-5-ene-1,2,3,4-tetrol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

386012Z45S [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 730.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 395.8±32.9 °C
Index of Refraction: 1.558
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.87
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 448.7±3.0 cm3

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