ChemSpider 2D Image | (3R,6S,7S,8S,9R,9aR)-N-[(2R)-1-Amino-1-oxo-2-propanyl]-6,7,8,9-tetrahydroxy-2,2-dimethyl-5-oxooctahydro[1,3]thiazolo[3,2-a]azepine-3-carboxamide | C14H23N3O7S

(3R,6S,7S,8S,9R,9aR)-N-[(2R)-1-Amino-1-oxo-2-propanyl]-6,7,8,9-tetrahydroxy-2,2-dimethyl-5-oxooctahydro[1,3]thiazolo[3,2-a]azepine-3-carboxamide

  • Molecular FormulaC14H23N3O7S
  • Average mass377.413 Da
  • Monoisotopic mass377.125671 Da
  • ChemSpider ID68413379

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3R,6S,7S,8S,9R,9aR)-N-[(2R)-1-Amino-1-oxo-2-propanyl]-6,7,8,9-tetrahydroxy-2,2-dimethyl-5-oxooctahydro[1,3]thiazolo[3,2-a]azepin-3-carboxamid [German] [ACD/IUPAC Name]
(3R,6S,7S,8S,9R,9aR)-N-[(2R)-1-Amino-1-oxo-2-propanyl]-6,7,8,9-tetrahydroxy-2,2-dimethyl-5-oxooctahydro[1,3]thiazolo[3,2-a]azepine-3-carboxamide [ACD/IUPAC Name]
(3R,6S,7S,8S,9R,9aR)-N-[(2R)-1-Amino-1-oxo-2-propanyl]-6,7,8,9-tétrahydroxy-2,2-diméthyl-5-oxooctahydro[1,3]thiazolo[3,2-a]azépine-3-carboxamide [French] [ACD/IUPAC Name]
Thiazolo[3,2-a]azepine-3-carboxamide, N-[(1R)-2-amino-1-methyl-2-oxoethyl]octahydro-6,7,8,9-tetrahydroxy-2,2-dimethyl-5-oxo-, (3R,6S,7S,8S,9R,9aR)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 737.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.8±6.0 kJ/mol
Flash Point: 399.8±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 88.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -1.11
ACD/LogD (pH 5.5): -1.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.37
ACD/LogD (pH 7.4): -1.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.37
Polar Surface Area: 199 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 89.0±5.0 dyne/cm
Molar Volume: 239.0±5.0 cm3

Click to predict properties on the Chemicalize site


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