ChemSpider 2D Image | (4S,7S,11aS)-N-[(3S)-2-Hydroxy-5-oxotetrahydro-3-furanyl]-2-(methylsulfonyl)-7-(2-naphthoylamino)-6-oxodecahydro-2H-pyrazino[1,2-a]azocine-4-carboxamide | C27H32N4O8S

(4S,7S,11aS)-N-[(3S)-2-Hydroxy-5-oxotetrahydro-3-furanyl]-2-(methylsulfonyl)-7-(2-naphthoylamino)-6-oxodecahydro-2H-pyrazino[1,2-a]azocine-4-carboxamide

  • Molecular FormulaC27H32N4O8S
  • Average mass572.630 Da
  • Monoisotopic mass572.194092 Da
  • ChemSpider ID23264171

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(4S,7S,11aS)-N-[(3S)-2-Hydroxy-5-oxotetrahydro-3-furanyl]-2-(methylsulfonyl)-7-(2-naphthoylamino)-6-oxodecahydro-2H-pyrazino[1,2-a]azocin-4-carboxamid [German] [ACD/IUPAC Name]
(4S,7S,11aS)-N-[(3S)-2-Hydroxy-5-oxotetrahydro-3-furanyl]-2-(methylsulfonyl)-7-(2-naphthoylamino)-6-oxodecahydro-2H-pyrazino[1,2-a]azocine-4-carboxamide [ACD/IUPAC Name]
(4S,7S,11aS)-N-[(3S)-2-Hydroxy-5-oxotétrahydro-3-furanyl]-2-(méthylsulfonyl)-7-(2-naphtoylamino)-6-oxodécahydro-2H-pyrazino[1,2-a]azocine-4-carboxamide [French] [ACD/IUPAC Name]
(4S,7S,11aS)-N-[(3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl]-2-(methylsulfonyl)-7-[(naphthalen-2-ylcarbonyl)amino]-6-oxodecahydro-2H-pyrazino[1,2-a]azocine-4-carboxamide
2H-Pyrazino[1,2-a]azocine-4-carboxamide, decahydro-2-(methylsulfonyl)-7-[(2-naphthalenylcarbonyl)amino]-6-oxo-N-[(3S)-tetrahydro-2-hydroxy-5-oxo-3-furanyl]-, (4S,7S,11aS)- [ACD/Index Name]
(4S,7S,11aS)-7-(2-naphthamido)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofuran-3-yl)-2-(methylsulfonyl)-6-oxo-decahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide
CHEMBL197811

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.675
Molar Refractivity: 144.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.86
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.96
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.96
Polar Surface Area: 171 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 76.7±5.0 dyne/cm
Molar Volume: 384.5±5.0 cm3

Click to predict properties on the Chemicalize site


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