ChemSpider 2D Image | (3aS,7aS)-2-{N-[(2-Isopropoxyethyl)sulfonyl]glycyl}hexahydropyrano[3,4-c]pyrrole-7a(1H)-carboxylic acid | C15H26N2O7S

(3aS,7aS)-2-{N-[(2-Isopropoxyethyl)sulfonyl]glycyl}hexahydropyrano[3,4-c]pyrrole-7a(1H)-carboxylic acid

  • Molecular FormulaC15H26N2O7S
  • Average mass378.441 Da
  • Monoisotopic mass378.146057 Da
  • ChemSpider ID54785306

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,7aS)-2-{N-[(2-Isopropoxyethyl)sulfonyl]glycyl}hexahydropyrano[3,4-c]pyrrol-7a(1H)-carbonsäure [German] [ACD/IUPAC Name]
(3aS,7aS)-2-{N-[(2-Isopropoxyethyl)sulfonyl]glycyl}hexahydropyrano[3,4-c]pyrrole-7a(1H)-carboxylic acid [ACD/IUPAC Name]
Acide (3aS,7aS)-2-{N-[(2-isopropoxyéthyl)sulfonyl]glycyl}hexahydropyrano[3,4-c]pyrrole-7a(1H)-carboxylique [French] [ACD/IUPAC Name]
Pyrano[3,4-c]pyrrole-7a(1H)-carboxylic acid, hexahydro-2-[2-[[[2-(1-methylethoxy)ethyl]sulfonyl]amino]acetyl]-, (3aS,7aS)- [ACD/Index 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: 596.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 97.0±6.0 kJ/mol
Flash Point: 314.4±32.9 °C
Index of Refraction: 1.548
Molar Refractivity: 89.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.71
ACD/LogD (pH 5.5): -2.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 131 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 280.2±3.0 cm3

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