ChemSpider 2D Image | (2S,2'S)-2,2'-(1,2-Hydrazinediylbis{methylene[(2S)-1-oxo-2,1-hexanediyl]imino})bis(6-amino-N-phenylhexanamide) | C38H62N8O4

(2S,2'S)-2,2'-(1,2-Hydrazinediylbis{methylene[(2S)-1-oxo-2,1-hexanediyl]imino})bis(6-amino-N-phenylhexanamide)

  • Molecular FormulaC38H62N8O4
  • Average mass694.950 Da
  • Monoisotopic mass694.489380 Da
  • ChemSpider ID4593554

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,2'S)-2,2'-(1,2-Hydrazindiylbis{methylen[(2S)-1-oxo-2,1-hexandiyl]imino})bis(6-amino-N-phenylhexanamid) [German] [ACD/IUPAC Name]
(2S,2'S)-2,2'-(1,2-Hydrazinediylbis{methylene[(2S)-1-oxo-2,1-hexanediyl]imino})bis(6-amino-N-phenylhexanamide) [ACD/IUPAC Name]
(2S,2'S)-2,2'-(1,2-Hydrazinediylbis{méthylène[(2S)-1-oxo-2,1-hexanediyl]imino})bis(6-amino-N-phénylhexanamide) [French] [ACD/IUPAC Name]
Hexanamide, 2,2'-[1,2-hydrazinediylbis(methylene)]bis[N-[(1S)-5-amino-1-[(phenylamino)carbonyl]pentyl]-, (2S,2'S)- [ACD/Index Name]
2-{N'-[2-(5-AMINO-1-PHENYLCARBAMOYL-PENTYLCARBAMOYL)-HEXYL]-HYDRAZINOMETHYL}-HEXANOIC ACID(5-AMINO-1-PHENYLCARBAMOYL-PENTYL)-AMIDE
BL5

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

Density: 1.1±0.1 g/cm3
Boiling Point: 966.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.9±3.0 kJ/mol
Flash Point: 538.2±34.3 °C
Index of Refraction: 1.568
Molar Refractivity: 202.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 3
ACD/LogP: 3.43
ACD/LogD (pH 5.5): -2.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 193 Å2
Polarizability: 80.2±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 618.0±3.0 cm3

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