ChemSpider 2D Image | 2-{2-Hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl}-3-[(2-methyl-2-propanyl)carbamoyl]decahydroisoquinolinium | C32H46N3O4S

2-{2-Hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl}-3-[(2-methyl-2-propanyl)carbamoyl]decahydroisoquinolinium

  • Molecular FormulaC32H46N3O4S
  • Average mass568.790 Da
  • Monoisotopic mass568.320374 Da
  • ChemSpider ID21201618

  • Charge - Charge

More details:

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

2-{2-Hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl}-3-[(2-methyl-2-propanyl)carbamoyl]decahydroisochinolinium [German] [ACD/IUPAC Name]
2-{2-Hydroxy-3-[(3-hydroxy-2-méthylbenzoyl)amino]-4-(phénylsulfanyl)butyl}-3-[(2-méthyl-2-propanyl)carbamoyl]décahydroisoquinoléinium [French] [ACD/IUPAC Name]
2-{2-Hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl}-3-[(2-methyl-2-propanyl)carbamoyl]decahydroisoquinolinium [ACD/IUPAC Name]
Isoquinolinium, 3-[[(1,1-dimethylethyl)amino]carbonyl]decahydro-2-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]- [ACD/Index Name]
(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl]decahydroisoquinolinium
nelfinavir cation
nelfinavir(1+)
  • Miscellaneous

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

Density:
Boiling Point: 786.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 429.7±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.98
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 4166.22
ACD/KOC (pH 5.5): 9928.60
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 12107.67
ACD/KOC (pH 7.4): 28854.00
Polar Surface Area: 128 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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