ChemSpider 2D Image | 2-[11-{1-Hydroxy-2-[(3-methylbutyl)(phenylsulfonyl)amino]ethyl}-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-8-yl]acetamidato(2-) | C29H40N4O7S

2-[11-{1-Hydroxy-2-[(3-methylbutyl)(phenylsulfonyl)amino]ethyl}-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-8-yl]acetamidato(2-)

  • Molecular FormulaC29H40N4O7S
  • Average mass588.716 Da
  • Monoisotopic mass588.261780 Da
  • ChemSpider ID21240557

More details:

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

2-[11-{1-Hydroxy-2-[(3-methylbutyl)(phenylsulfonyl)amino]ethyl}-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-8-yl]acetamid [German] [ACD/IUPAC Name]
2-[11-{1-Hydroxy-2-[(3-methylbutyl)(phenylsulfonyl)amino]ethyl}-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-8-yl]acetamidato(2-) [ACD/IUPAC Name]
2-[11-{1-Hydroxy-2-[(3-méthylbutyl)(phénylsulfonyl)amino]éthyl}-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadéca-1(15),13,16-trién-8-yl]acétamide [French] [ACD/IUPAC Name]
2-Oxa-7,10-diazabicyclo[11.2.2]heptadeca-13,15,16-triene-8-acetamide, 11-[1-hydroxy-2-[(3-methylbutyl)(phenylsulfonyl)amino]ethyl]-6,9-dioxo- [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: 1.554
Molar Refractivity: 155.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.87
ACD/KOC (pH 5.5): 284.94
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.87
ACD/KOC (pH 7.4): 284.94
Polar Surface Area: 177 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 484.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement