Found 9 results

Search term: MF = 'C_{19}H_{33}N_{3}O_{8}S'
ChemSpider 2D Image | Heptyl 3-[({[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl]oxy}sulfonyl)oxy]-2,2-dimethylpropanoate | C19H33N3O8S

Heptyl 3-[({[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl]oxy}sulfonyl)oxy]-2,2-dimethylpropanoate

  • Molecular FormulaC19H33N3O8S
  • Average mass463.546 Da
  • Monoisotopic mass463.198822 Da
  • ChemSpider ID90663721

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-[({[(2S,5R)-2-Carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl]oxy}sulfonyl)oxy]-2,2-diméthylpropanoate d'heptyle [French] [ACD/IUPAC Name]
Heptyl 3-[({[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl]oxy}sulfonyl)oxy]-2,2-dimethylpropanoate [ACD/IUPAC Name]
Heptyl-3-[({[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl]oxy}sulfonyl)oxy]pivalat [German] [ACD/IUPAC Name]
Propanoic acid, 3-[[[[(2S,5R)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl]oxy]sulfonyl]oxy]-2,2-dimethyl-, heptyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 604.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.2±34.3 °C
Index of Refraction: 1.552
Molar Refractivity: 111.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.41
ACD/KOC (pH 5.5): 257.86
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.41
ACD/KOC (pH 7.4): 257.86
Polar Surface Area: 154 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 349.6±5.0 cm3

Click to predict properties on the Chemicalize site


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