ChemSpider 2D Image | N-[(4S,5R,6R,7R)-8-(Benzylamino)-5,6-dihydroxy-2,7-dimethyl-8-oxo-4-octanyl]-4-(1-pyrrolidinylsulfonyl)benzamide | C28H39N3O6S

N-[(4S,5R,6R,7R)-8-(Benzylamino)-5,6-dihydroxy-2,7-dimethyl-8-oxo-4-octanyl]-4-(1-pyrrolidinylsulfonyl)benzamide

  • Molecular FormulaC28H39N3O6S
  • Average mass545.691 Da
  • Monoisotopic mass545.255981 Da
  • ChemSpider ID8295395

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Benzamide, N-[(1S,2R,3R,4R)-2,3-dihydroxy-4-methyl-1-(2-methylpropyl)-5-oxo-5-[(phenylmethyl)amino]pentyl]-4-(1-pyrrolidinylsulfonyl)- [ACD/Index Name]
N-[(4S,5R,6R,7R)-8-(Benzylamino)-5,6-dihydroxy-2,7-dimethyl-8-oxo-4-octanyl]-4-(1-pyrrolidinylsulfonyl)benzamid [German] [ACD/IUPAC Name]
N-[(4S,5R,6R,7R)-8-(Benzylamino)-5,6-dihydroxy-2,7-dimethyl-8-oxo-4-octanyl]-4-(1-pyrrolidinylsulfonyl)benzamide [ACD/IUPAC Name]
N-[(4S,5R,6R,7R)-8-(Benzylamino)-5,6-dihydroxy-2,7-diméthyl-8-oxo-4-octanyl]-4-(1-pyrrolidinylsulfonyl)benzamide [French] [ACD/IUPAC Name]

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: 1.588
Molar Refractivity: 146.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 106.88
ACD/KOC (pH 5.5): 986.00
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.87
ACD/KOC (pH 7.4): 986.00
Polar Surface Area: 144 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 436.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement