ChemSpider 2D Image | (2R)-2-Acetamido-3-[(2-amino-8-formyl-3-oxo-3H-phenoxazin-1-yl)sulfanyl]propanoate | C18H14N3O6S

(2R)-2-Acetamido-3-[(2-amino-8-formyl-3-oxo-3H-phenoxazin-1-yl)sulfanyl]propanoate

  • Molecular FormulaC18H14N3O6S
  • Average mass400.386 Da
  • Monoisotopic mass400.060883 Da
  • ChemSpider ID28639335

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Acetamido-3-[(2-amino-8-formyl-3-oxo-3H-phenoxazin-1-yl)sulfanyl]propanoat [German] [ACD/IUPAC Name]
(2R)-2-Acetamido-3-[(2-amino-8-formyl-3-oxo-3H-phenoxazin-1-yl)sulfanyl]propanoate [ACD/IUPAC Name]
(2R)-2-Acétamido-3-[(2-amino-8-formyl-3-oxo-3H-phénoxazin-1-yl)sulfanyl]propanoate [French] [ACD/IUPAC Name]
L-Cysteine, N-acetyl-S-(2-amino-8-formyl-3-oxo-3H-phenoxazin-1-yl)-, ion(1-) [ACD/Index Name]
grixazone A
grixazone A anion
grixazone A(1-)
  • Miscellaneous

    • Chemical Class:

      An L-alpha-amino-acid anion that is the conjugate base of grixazone A, obtained by deprotonation of the carboxy group. ChEBI CHEBI:73482

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

Density:
Boiling Point: 700.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 377.5±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.01
ACD/LogD (pH 5.5): -1.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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