ChemSpider 2D Image | N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4-(2-{[(2R)-1-hydroxy-4-methyl-2-pentanyl]amino}-2-oxoethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]-4-methoxybenzam ide | C30H43N3O6S

N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4-(2-{[(2R)-1-hydroxy-4-methyl-2-pentanyl]amino}-2-oxoethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]-4-methoxybenzam ide

  • Molecular FormulaC30H43N3O6S
  • Average mass573.744 Da
  • Monoisotopic mass573.287231 Da
  • ChemSpider ID5477863

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4-(2-{[(2R)-1-hydroxy-4-methyl-2-pentanyl]amino}-2-oxoethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]-4-methoxybenzam id [German] [ACD/IUPAC Name]
N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4-(2-{[(2R)-1-hydroxy-4-methyl-2-pentanyl]amino}-2-oxoethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]-4-methoxybenzam ide [ACD/IUPAC Name]
N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxyméthyl)-4-(2-{[(2R)-1-hydroxy-4-méthyl-2-pentanyl]amino}-2-oxoéthyl)-4a,8-diméthyl-4,4a,5,6,7,8,8a,9-octahydronaphto[2,3-d][1,3]thiazol-2-yl]-4-méthoxybenzami de [French] [ACD/IUPAC Name]
Naphtho[2,3-d]thiazole-4-acetamide, 4,4a,5,6,7,8,8a,9-octahydro-7-hydroxy-8-(hydroxymethyl)-N-[(1R)-1-(hydroxymethyl)-3-methylbutyl]-2-[(4-methoxybenzoyl)amino]-4a,8-dimethyl-, (4S,4aR,7R,8R,8aS)- [ACD/Index Name]

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

ZINC04222268 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.591
Molar Refractivity: 156.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 322.29
ACD/KOC (pH 5.5): 2163.17
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 162.46
ACD/KOC (pH 7.4): 1090.40
Polar Surface Area: 169 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 463.3±3.0 cm3

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