ChemSpider 2D Image | 6-[{(2S)-2-Amino-3-[4-(benzyloxy)phenyl]propyl}(hydroxy)amino]-6-oxohexanoic acid | C22H28N2O5

6-[{(2S)-2-Amino-3-[4-(benzyloxy)phenyl]propyl}(hydroxy)amino]-6-oxohexanoic acid

  • Molecular FormulaC22H28N2O5
  • Average mass400.468 Da
  • Monoisotopic mass400.199829 Da
  • ChemSpider ID24715504

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

171435-39-5 [RN]
6-[{(2S)-2-Amino-3-[4-(benzyloxy)phenyl]propyl}(hydroxy)amino]-6-oxohexanoic acid [ACD/IUPAC Name]
6-[{(2s)-2-Amino-3-[4-(Benzyloxy)phenyl]propyl}(Hydroxy)amino]-6-Oxohexanoic Acid)
6-[{(2S)-2-Amino-3-[4-(benzyloxy)phenyl]propyl}(hydroxy)amino]-6-oxohexansäure [German] [ACD/IUPAC Name]
Acide 6-[{(2S)-2-amino-3-[4-(benzyloxy)phényl]propyl}(hydroxy)amino]-6-oxohexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 6-[[(2S)-2-amino-3-[4-(phenylmethoxy)phenyl]propyl]hydroxyamino]-6-oxo- [ACD/Index Name]
5-{[(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL](HYDROXY)CARBAMOYL}PENTANOIC ACID
6-[[(2S)-2-AMINO-3-[4-(PHENYLMETHOXY)PHENYL]PROPYL]HYDROXYAMINO]-6-OXO-HEXANOIC ACID
HA2
Hexanoic acid,6-[[(2S)-2-amino-3-[4-(phenylmethoxy)phenyl]propyl]hydroxyamino]-6-oxo-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 639.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 340.2±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 109.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.03
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 323.1±3.0 cm3

Click to predict properties on the Chemicalize site


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