PLANNED MAINTENANCE

There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.


ChemSpider 2D Image | N-[(3'-Hydroxy-2-biphenylyl)methyl]-2-[3-(2-{[(2R)-2-hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl]amino}-2-methylpropyl)phenyl]acetamide | C34H39N3O6S

N-[(3'-Hydroxy-2-biphenylyl)methyl]-2-[3-(2-{[(2R)-2-hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl]amino}-2-methylpropyl)phenyl]acetamide

  • Molecular FormulaC34H39N3O6S
  • Average mass617.755 Da
  • Monoisotopic mass617.255981 Da
  • ChemSpider ID9853636
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Benzeneacetamide, N-[(3'-hydroxy[1,1'-biphenyl]-2-yl)methyl]-3-[2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-[(methylsulfonyl)amino]phenyl]ethyl]amino]-2-methylpropyl]- [ACD/Index Name]
N-[(3'-Hydroxy-2-biphenylyl)methyl]-2-[3-(2-{[(2R)-2-hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl]amino}-2-methylpropyl)phenyl]acetamid [German] [ACD/IUPAC Name]
N-[(3'-Hydroxy-2-biphenylyl)methyl]-2-[3-(2-{[(2R)-2-hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl]amino}-2-methylpropyl)phenyl]acetamide [ACD/IUPAC Name]
N-[(3'-Hydroxy-2-biphénylyl)méthyl]-2-[3-(2-{[(2R)-2-hydroxy-2-{4-hydroxy-3-[(méthylsulfonyl)amino]phényl}éthyl]amino}-2-méthylpropyl)phényl]acétamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.643
Molar Refractivity: 171.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.03
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 6.36
ACD/KOC (pH 7.4): 46.70
Polar Surface Area: 156 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 474.7±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement