ChemSpider 2D Image | CECXG | C22H23NO5

CECXG

  • Molecular FormulaC22H23NO5
  • Average mass381.422 Da
  • Monoisotopic mass381.157623 Da
  • ChemSpider ID28190823
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1S,2S,3S)-2-[(1S)-1-Amino-1-carboxy-2-(9H-xanthen-9-yl)ethyl]-3-ethylcyclopropancarbonsäure [German] [ACD/IUPAC Name]
(1S,2S,3S)-2-[(1S)-1-Amino-1-carboxy-2-(9H-xanthen-9-yl)ethyl]-3-ethylcyclopropanecarboxylic acid [ACD/IUPAC Name]
2-(1'SR,2'SR,3'SR)-2'-carboxy-3'-ethylcyclopropyl-2-(9-xanthylmethyl)glycine
3'-ethyl-LY-341,495
9H-Xanthene-9-propanoic acid, α-amino-α-[(1S,2S,3S)-2-carboxy-3-ethylcyclopropyl]-, (αS)- [ACD/Index Name]
Acide (1S,2S,3S)-2-[(1S)-1-amino-1-carboxy-2-(9H-xanthén-9-yl)éthyl]-3-éthylcyclopropanecarboxylique [French] [ACD/IUPAC Name]
CECXG [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 587.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 308.9±27.3 °C
Index of Refraction: 1.632
Molar Refractivity: 101.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.89
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 62.2±3.0 dyne/cm
Molar Volume: 284.2±3.0 cm3

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