ChemSpider 2D Image | 4-{[4-(Hydroxyamino)-4-oxo-1-phenyl-2-butanyl]amino}-2-(4-hydroxy-3-iodobenzyl)-4-oxobutanoic acid | C21H23IN2O6

4-{[4-(Hydroxyamino)-4-oxo-1-phenyl-2-butanyl]amino}-2-(4-hydroxy-3-iodobenzyl)-4-oxobutanoic acid

  • Molecular FormulaC21H23IN2O6
  • Average mass526.322 Da
  • Monoisotopic mass526.060059 Da
  • ChemSpider ID117148

More details:

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

4-{[4-(Hydroxyamino)-4-oxo-1-phenyl-2-butanyl]amino}-2-(4-hydroxy-3-iodbenzyl)-4-oxobutansäure [German] [ACD/IUPAC Name]
4-{[4-(Hydroxyamino)-4-oxo-1-phenyl-2-butanyl]amino}-2-(4-hydroxy-3-iodobenzyl)-4-oxobutanoic acid [ACD/IUPAC Name]
Acide 4-{[4-(hydroxyamino)-4-oxo-1-phényl-2-butanyl]amino}-2-(4-hydroxy-3-iodobenzyl)-4-oxobutanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-hydroxy-α-[2-[[3-(hydroxyamino)-3-oxo-1-(phenylmethyl)propyl]amino]-2-oxoethyl]-3-iodo- [ACD/Index Name]
145253-48-1 [RN]
2-((3-IODO-4-HYDROXY)BENZYL)-4-N-(3-(HYDROXYAMINO-3-OXO-1-BENZYL)PROPYL)AMINO-4-OXOBUTANOIC ACID
2-((3-Iodo-4-hydroxy)phenylmethyl)-4-N-(3-(hydroxyamino-3-oxo-1-phenylmethyl)propyl)amino-4-oxobutanoic acid
Benzenepropanoic acid, 4-hydroxy-α-(2-((3-(hydroxyamino)-3-oxo-1-(phenylmethyl)propyl)amino)-2-oxoethyl)-3-iodo-

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

RB 104 [DBID]
RB-104 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 117.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.52
ACD/LogD (pH 7.4): -1.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 323.8±3.0 cm3

Click to predict properties on the Chemicalize site


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