ChemSpider 2D Image | 1-{[(2R)-2-Acetamido-2-carboxylatoethyl]sulfanyl}-2-amino-3-oxo-3H-phenoxazine-8-carboxylate | C18H13N3O7S

1-{[(2R)-2-Acetamido-2-carboxylatoethyl]sulfanyl}-2-amino-3-oxo-3H-phenoxazine-8-carboxylate

  • Molecular FormulaC18H13N3O7S
  • Average mass415.378 Da
  • Monoisotopic mass415.048523 Da
  • ChemSpider ID28639336

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{[(2R)-2-Acetamido-2-carboxylatoethyl]sulfanyl}-2-amino-3-oxo-3H-phenoxazin-8-carboxylat [German] [ACD/IUPAC Name]
1-{[(2R)-2-Acetamido-2-carboxylatoethyl]sulfanyl}-2-amino-3-oxo-3H-phenoxazine-8-carboxylate [ACD/IUPAC Name]
1-{[(2R)-2-Acétamido-2-carboxylatoéthyl]sulfanyl}-2-amino-3-oxo-3H-phénoxazine-8-carboxylate [French] [ACD/IUPAC Name]
3H-Phenoxazine-8-carboxylic acid, 1-[[(2R)-2-(acetylamino)-2-carboxyethyl]thio]-2-amino-3-oxo-, ion(2-) [ACD/Index Name]
GRIXAZONE B
grixazone B dianion
grixazone B(2-)
  • Miscellaneous

    • Chemical Class:

      An L-alpha-amino-acid anion obtained by deprotonation of the two carboxy groups of grixazone B. ChEBI CHEBI:73483

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

Density:
Boiling Point: 738.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 400.4±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.31
ACD/LogD (pH 5.5): -3.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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