ChemSpider 2D Image | FE-999024 | C26H31ClN6O2

FE-999024

  • Molecular FormulaC26H31ClN6O2
  • Average mass495.016 Da
  • Monoisotopic mass494.219696 Da
  • ChemSpider ID32698457

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-Amino-N-[(2S)-1-amino-3-(1-naphthyl)-1-oxo-2-propanyl]-N-(3-carbamimidamidopropyl)-3-(4-chlorophenyl)propanamide [ACD/IUPAC Name]
(2R)-2-Amino-N-[(2S)-1-amino-3-(1-naphthyl)-1-oxo-2-propanyl]-N-(3-carbamimidamidopropyl)-3-(4-chlorophenyl)propanamide (non-preferred name) [ACD/IUPAC Name]
(2R)-2-Amino-N-[(2S)-1-amino-3-(1-naphthyl)-1-oxo-2-propanyl]-N-(3-carbamimidamidopropyl)-3-(4-chlorphenyl)propanamid [German] [ACD/IUPAC Name]
(2R)-2-Amino-N-[(2S)-1-amino-3-(1-naphthyl)-1-oxo-2-propanyl]-N-(3-carbamimidamidopropyl)-3-(4-chlorphenyl)propanamid (non-preferred name) [German] [ACD/IUPAC Name]
(2R)-2-Amino-N-[(2S)-1-amino-3-(1-naphtyl)-1-oxo-2-propanyl]-N-(3-carbamimidamidopropyl)-3-(4-chlorophényl)propanamide [French] [ACD/IUPAC Name]
(2R)-2-Amino-N-[(2S)-1-amino-3-(1-naphtyl)-1-oxo-2-propanyl]-N-(3-carbamimidamidopropyl)-3-(4-chlorophényl)propanamide (non-preferred name) [French] [ACD/IUPAC Name]
168825-65-8 [RN]
857A856KYV
FE-999024
FE-999024 free base
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 761.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 414.2±35.7 °C
Index of Refraction: 1.651
Molar Refractivity: 135.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.21
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.63
Polar Surface Area: 151 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 371.6±7.0 cm3

Click to predict properties on the Chemicalize site


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