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Search term: HOBORVHHDCBXLX-ZETCQYMHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S)-2-Amino-4-(2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinyl)butanoic acid | C12H13N3O4

(2S)-2-Amino-4-(2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinyl)butanoic acid

  • Molecular FormulaC12H13N3O4
  • Average mass263.249 Da
  • Monoisotopic mass263.090607 Da
  • ChemSpider ID35035059

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-4-(2,3-dioxo-1,2,3,4-tetrahydro-6-chinoxalinyl)butansäure [German] [ACD/IUPAC Name]
(2S)-2-Amino-4-(2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinyl)butanoic acid [ACD/IUPAC Name]
(2s)-2-Amino-4-(2,3-Dioxo-1,2,3,4-Tetrahydroquinoxalin-6-Yl)butanoic Acid
6-Quinoxalinebutanoic acid, α-amino-1,2,3,4-tetrahydro-2,3-dioxo-, (αS)- [ACD/Index Name]
Acide (2S)-2-amino-4-(2,3-dioxo-1,2,3,4-tétrahydro-6-quinoxalinyl)butanoïque [French] [ACD/IUPAC Name]
CNG-10300

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.613
Molar Refractivity: 64.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.49
ACD/LogD (pH 5.5): -3.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 65.0±3.0 dyne/cm
Molar Volume: 185.8±3.0 cm3

Click to predict properties on the Chemicalize site


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