ChemSpider 2D Image | 2,5-Anhydro-3,4-dideoxy-5-(3,3-dimethyl-1-butyn-1-yl)-3-{(4-hydroxycyclohexyl)[(4-methylcyclohexyl)carbonyl]amino}-2-thiopentonic acid | C25H39NO4S

2,5-Anhydro-3,4-dideoxy-5-(3,3-dimethyl-1-butyn-1-yl)-3-{(4-hydroxycyclohexyl)[(4-methylcyclohexyl)carbonyl]amino}-2-thiopentonic acid

  • Molecular FormulaC25H39NO4S
  • Average mass449.647 Da
  • Monoisotopic mass449.259979 Da
  • ChemSpider ID109495751

More details:

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

2,5-Anhydro-3,4-dideoxy-5-(3,3-dimethyl-1-butyn-1-yl)-3-{(4-hydroxycyclohexyl)[(4-methylcyclohexyl)carbonyl]amino}-2-thiopentonic acid [ACD/IUPAC Name]
2,5-Anhydro-3,4-didesoxy-5-(3,3-dimethyl-1-butin-1-yl)-3-{(4-hydroxycyclohexyl)[(4-methylcyclohexyl)carbonyl]amino}-2-thiopentonsäure [German] [ACD/IUPAC Name]
Acide 2,5-anhydro-3,4-didésoxy-5-(3,3-diméthyl-1-butyn-1-yl)-3-{(4-hydroxycyclohexyl)[(4-méthylcyclohexyl)carbonyl]amino}-2-thiopentonique [French] [ACD/IUPAC Name]
Pentonic acid, 2,5-anhydro-3,4-dideoxy-5-C-(3,3-dimethyl-1-butyn-1-yl)-3-[(4-hydroxycyclohexyl)[(4-methylcyclohexyl)carbonyl]amino]-2-thio- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 639.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±6.0 kJ/mol
Flash Point: 340.7±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 124.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 1.85
ACD/KOC (pH 5.5): 9.30
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 378.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement