Found 2 results

Search term: YQSVIUCFRZTVDQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4S)-4-(Cyclopropylcarbonyl)-3-[(1R)-1-hydroxyethyl]-2-azetidinone | C9H13NO3

(4S)-4-(Cyclopropylcarbonyl)-3-[(1R)-1-hydroxyethyl]-2-azetidinone

  • Molecular FormulaC9H13NO3
  • Average mass183.204 Da
  • Monoisotopic mass183.089539 Da
  • ChemSpider ID30650620

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(4S)-4-(Cyclopropylcarbonyl)-3-[(1R)-1-hydroxyethyl]-2-azetidinon [German] [ACD/IUPAC Name]
(4S)-4-(Cyclopropylcarbonyl)-3-[(1R)-1-hydroxyethyl]-2-azetidinone [ACD/IUPAC Name]
(4S)-4-(Cyclopropylcarbonyl)-3-[(1R)-1-hydroxyéthyl]-2-azétidinone [French] [ACD/IUPAC Name]
2-Azetidinone, 4-(cyclopropylcarbonyl)-3-[(1R)-1-hydroxyethyl]-, (4S)- [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: 430.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±6.0 kJ/mol
Flash Point: 213.9±24.6 °C
Index of Refraction: 1.562
Molar Refractivity: 44.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.08
ACD/LogD (pH 5.5): -1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.69
ACD/LogD (pH 7.4): -1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.69
Polar Surface Area: 66 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 137.2±3.0 cm3

Click to predict properties on the Chemicalize site


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