ChemSpider 2D Image | Allyl [(4S,4aS,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]carbamate | C26H41N3O6S

Allyl [(4S,4aS,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]carbamate

  • Molecular FormulaC26H41N3O6S
  • Average mass523.685 Da
  • Monoisotopic mass523.271606 Da
  • ChemSpider ID62322775

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(4S,4aS,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]carbamate d'allyle [French] [ACD/IUPAC Name]
Allyl [(4S,4aS,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]carbamate [ACD/IUPAC Name]
Allyl-[(4S,4aS,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]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(4S,4aS,7R,8R,8aS)-4,4a,5,6,7,8,8a,9-octahydro-7-hydroxy-8-(hydroxymethyl)-4-[2-[[(1R)-1-(hydroxymethyl)-3-methylbutyl]amino]-2-oxoethyl]-4a,8-dimethylnaphtho[2,3-d]thiazol-2-yl]-, 2 -propen-1-yl ester [ACD/Index Name]

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: 1.569
Molar Refractivity: 140.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 122.11
ACD/KOC (pH 5.5): 859.11
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 5.42
ACD/KOC (pH 7.4): 38.10
Polar Surface Area: 169 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 428.0±3.0 cm3

Click to predict properties on the Chemicalize site


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