ChemSpider 2D Image | 2-Amino-5-({3-({2-[(2-amino-4-carboxybutanoyl)amino]-3-[(carboxymethyl)amino]-3-oxopropyl}disulfanyl)-1-[(carboxymethyl)amino]-1-oxo-2-propanyl}amino)-5-oxopentanoic acid (non-preferred name) | C20H32N6O12S2

2-Amino-5-({3-({2-[(2-amino-4-carboxybutanoyl)amino]-3-[(carboxymethyl)amino]-3-oxopropyl}disulfanyl)-1-[(carboxymethyl)amino]-1-oxo-2-propanyl}amino)-5-oxopentanoic acid (non-preferred name)

  • Molecular FormulaC20H32N6O12S2
  • Average mass612.631 Da
  • Monoisotopic mass612.151978 Da
  • ChemSpider ID57475092

More details:

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

2-Amino-5-({3-({2-[(2-amino-4-carboxybutanoyl)amino]-3-[(carboxymethyl)amino]-3-oxopropyl}disulfanyl)-1-[(carboxymethyl)amino]-1-oxo-2-propanyl}amino)-5-oxopentanoic acid (non-preferred name) [ACD/IUPAC Name]
2-Amino-5-({3-({2-[(2-amino-4-carboxybutanoyl)amino]-3-[(carboxymethyl)amino]-3-oxopropyl}disulfanyl)-1-[(carboxymethyl)amino]-1-oxo-2-propanyl}amino)-5-oxopentansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide 2-amino-5-({3-({2-[(2-amino-4-carboxybutanoyl)amino]-3-[(carboxyméthyl)amino]-3-oxopropyl}disulfanyl)-1-[(carboxyméthyl)amino]-1-oxo-2-propanyl}amino)-5-oxopentanoïque (non-preferred name) [French] [ACD/IUPAC Name]
2-AMINO-4-[(2-{[2-(2-AMINO-4-CARBOXYBUTANAMIDO)-2-(CARBOXYMETHYLCARBAMOYL)ETHYL]DISULFANYL}-1-(CARBOXYMETHYLCARBAMOYL)ETHYL)CARBAMOYL]BUTANOIC ACID

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1197.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 192.2±6.0 kJ/mol
Flash Point: 678.3±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 138.4±0.3 cm3
#H bond acceptors: 18
#H bond donors: 12
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: -0.64
ACD/LogD (pH 5.5): -6.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 368 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 81.8±3.0 dyne/cm
Molar Volume: 397.7±3.0 cm3

Click to predict properties on the Chemicalize site


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