ChemSpider 2D Image | (1Z)-5-[(2-Amino-2-carboxyethyl)amino]-3-carboxy-N-{2-[(Z)-(4-carboxy-1-oxidanidyl-4-oxobutylidene)amino]ethyl}-3-hydroxy-5-oxopentanimidate | C16H22N4O11

(1Z)-5-[(2-Amino-2-carboxyethyl)amino]-3-carboxy-N-{2-[(Z)-(4-carboxy-1-oxidanidyl-4-oxobutylidene)amino]ethyl}-3-hydroxy-5-oxopentanimidate

  • Molecular FormulaC16H22N4O11
  • Average mass446.367 Da
  • Monoisotopic mass446.129608 Da
  • ChemSpider ID95662598

  • Charge - Charge

More details:

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

(1Z)-5-[(2-Amino-2-carboxyethyl)amino]-3-carboxy-N-{2-[(Z)-(4-carboxy-1-oxidanidyl-4-oxobutylidene)amino]ethyl}-3-hydroxy-5-oxopentanimidate [ACD/IUPAC Name]
(1Z)-5-[(2-Amino-2-carboxyéthyl)amino]-3-carboxy-N-{2-[(Z)-(4-carboxy-4-oxo-1-oxydanidylbutylidène)amino]éthyl}-3-hydroxy-5-oxopentanimidate [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[[2-[[(1Z)-5-[(2-amino-2-carboxyethyl)amino]-3-carboxy-1,3-dihydroxy-5-oxopentylidene]amino]ethyl]imino]-5-hydroxy-2-oxo-, ion(2-), (5Z)- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: -1.88
ACD/LogD (pH 5.5): -7.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 275 Å2
Polarizability:
Surface Tension:
Molar Volume:

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