ChemSpider 2D Image | 2-[({3,5-Bis[(adamantan-1-yloxy)carbonyl]-2,6-dimethyl-1,4-dihydro-4-pyridinyl}carbonyl)amino]ethanesulfonic acid | C32H44N2O8S

2-[({3,5-Bis[(adamantan-1-yloxy)carbonyl]-2,6-dimethyl-1,4-dihydro-4-pyridinyl}carbonyl)amino]ethanesulfonic acid

  • Molecular FormulaC32H44N2O8S
  • Average mass616.765 Da
  • Monoisotopic mass616.281860 Da
  • ChemSpider ID8659343

More details:

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

2-[({3,5-Bis[(adamantan-1-yloxy)carbonyl]-2,6-dimethyl-1,4-dihydro-4-pyridinyl}carbonyl)amino]ethanesulfonic acid [ACD/IUPAC Name]
2-[({3,5-Bis[(adamantan-1-yloxy)carbonyl]-2,6-dimethyl-1,4-dihydro-4-pyridinyl}carbonyl)amino]ethansulfonsäure [German] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-[[(2-sulfoethyl)amino]carbonyl]-, 3,5-ditricyclo[3.3.1.13,7]dec-1-yl ester [ACD/Index Name]
Acide 2-[({3,5-bis[(adamantan-1-yloxy)carbonyl]-2,6-diméthyl-1,4-dihydro-4-pyridinyl}carbonyl)amino]éthanesulfonique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.621
Molar Refractivity: 156.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 63.4±5.0 dyne/cm
Molar Volume: 444.3±5.0 cm3

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