ChemSpider 2D Image | N-{(2R)-2-Hydroxy-2-[(10R)-16-hydroxy-12-oxo-3,4,5,6,7,8,9,10,11,12-decahydro-2H-1,11-benzoxazacyclotetradecin-10-yl]ethyl}-N-isobutyl-1,3-benzodioxole-5-sulfonamide | C29H40N2O8S

N-{(2R)-2-Hydroxy-2-[(10R)-16-hydroxy-12-oxo-3,4,5,6,7,8,9,10,11,12-decahydro-2H-1,11-benzoxazacyclotetradecin-10-yl]ethyl}-N-isobutyl-1,3-benzodioxole-5-sulfonamide

  • Molecular FormulaC29H40N2O8S
  • Average mass576.701 Da
  • Monoisotopic mass576.250549 Da
  • ChemSpider ID62398843

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Benzodioxole-5-sulfonamide, N-[(2R)-2-[(10R)-3,4,5,6,7,8,9,10,11,12-decahydro-16-hydroxy-12-oxo-2H-1,11-benzoxaazacyclotetradecin-10-yl]-2-hydroxyethyl]-N-(2-methylpropyl)- [ACD/Index Name]
N-{(2R)-2-Hydroxy-2-[(10R)-16-hydroxy-12-oxo-3,4,5,6,7,8,9,10,11,12-decahydro-2H-1,11-benzoxazacyclotetradecin-10-yl]ethyl}-N-isobutyl-1,3-benzodioxol-5-sulfonamid [German] [ACD/IUPAC Name]
N-{(2R)-2-Hydroxy-2-[(10R)-16-hydroxy-12-oxo-3,4,5,6,7,8,9,10,11,12-decahydro-2H-1,11-benzoxazacyclotetradecin-10-yl]ethyl}-N-isobutyl-1,3-benzodioxole-5-sulfonamide [ACD/IUPAC Name]
N-{(2R)-2-Hydroxy-2-[(10R)-16-hydroxy-12-oxo-3,4,5,6,7,8,9,10,11,12-décahydro-2H-1,11-benzoxazacyclotétradécin-10-yl]éthyl}-N-isobutyl-1,3-benzodioxole-5-sulfonamide [French] [ACD/IUPAC 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: 1.563
Molar Refractivity: 150.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1219.00
ACD/KOC (pH 5.5): 5629.93
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1176.25
ACD/KOC (pH 7.4): 5432.51
Polar Surface Area: 143 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 464.3±3.0 cm3

Click to predict properties on the Chemicalize site


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