Found 107 results

Search term: MF = 'C_{28}H_{47}N_{3}O_{5}S'
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]-3,3-dimethylbut anamide | C28H47N3O5S

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]-3,3-dimethylbut anamide

  • Molecular FormulaC28H47N3O5S
  • Average mass537.755 Da
  • Monoisotopic mass537.323669 Da
  • ChemSpider ID5484661

  • 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]-3,3-dimethylbut anamid [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]-3,3-dimethylbut anamide [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]-3,3-diméthylbuta namide [French] [ACD/IUPAC Name]
Naphtho[2,3-d]thiazole-4-acetamide, 2-[(3,3-dimethyl-1-oxobutyl)amino]-4,4a,5,6,7,8,8a,9-octahydro-7-hydroxy-8-(hydroxymethyl)-N-[(1R)-1-(hydroxymethyl)-3-methylbutyl]-4a,8-dimethyl-, (4S,4aR,7R,8R,8a S)- [ACD/Index Name]

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

ZINC04236993 [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: 1.557
Molar Refractivity: 148.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 334.15
ACD/KOC (pH 5.5): 2227.14
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 333.47
ACD/KOC (pH 7.4): 2222.61
Polar Surface Area: 160 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 459.6±3.0 cm3

Click to predict properties on the Chemicalize site


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