ChemSpider 2D Image | (1s,7s)-7-Amino-N-[(2r,3s)-7-Amino-1-(Cyclohexylamino)-2-Hydroxy-1-Oxoheptan-3-Yl]-7-Benzyl-8-Oxohexahydro-1h-Pyrazolo[1,2-A]pyridazine-1-Carboxamide | C28H44N6O4

(1s,7s)-7-Amino-N-[(2r,3s)-7-Amino-1-(Cyclohexylamino)-2-Hydroxy-1-Oxoheptan-3-Yl]-7-Benzyl-8-Oxohexahydro-1h-Pyrazolo[1,2-A]pyridazine-1-Carboxamide

  • Molecular FormulaC28H44N6O4
  • Average mass528.687 Da
  • Monoisotopic mass528.342407 Da
  • ChemSpider ID4451291

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1s,7s)-7-Amino-N-[(2r,3s)-7-Amino-1-(Cyclohexylamino)-2-Hydroxy-1-Oxoheptan-3-Yl]-7-Benzyl-8-Oxohexahydro-1h-Pyrazolo[1,2-A]pyridazine-1-Carboxamide
(1S,7S)-7-Amino-N-[(2S,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxo-3-heptanyl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazin-1-carboxamid [German] [ACD/IUPAC Name]
(1S,7S)-7-Amino-N-[(2S,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxo-3-heptanyl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide [ACD/IUPAC Name]
(1S,7S)-7-Amino-N-[(2S,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxo-3-heptanyl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide [French] [ACD/IUPAC Name]
1H-Pyrazolo[1,2-a]pyridazine-1-carboxamide, 7-amino-N-[(1S)-5-amino-1-[(1S)-2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pentyl]hexahydro-8-oxo-7-(phenylmethyl)-, (1S,7S)- [ACD/Index Name]
RNG-BCY-LYS-OHO

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.620
Molar Refractivity: 146.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.02
ACD/LogD (pH 5.5): -3.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 417.5±5.0 cm3

Click to predict properties on the Chemicalize site


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