ChemSpider 2D Image | 3-{[(10R,11S)-10,11-Dihydroxy-3-methyl-7-oxo-8-oxa-3,14-diazaspiro[5.12]octadec-14-yl]carbonyl}-4-methoxybenzenesulfonamide | C24H37N3O8S

3-{[(10R,11S)-10,11-Dihydroxy-3-methyl-7-oxo-8-oxa-3,14-diazaspiro[5.12]octadec-14-yl]carbonyl}-4-methoxybenzenesulfonamide

  • Molecular FormulaC24H37N3O8S
  • Average mass527.631 Da
  • Monoisotopic mass527.230164 Da
  • ChemSpider ID80824580

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-{[(10R,11S)-10,11-Dihydroxy-3-methyl-7-oxo-8-oxa-3,14-diazaspiro[5.12]octadec-14-yl]carbonyl}-4-methoxybenzenesulfonamide [ACD/IUPAC Name]
3-{[(10R,11S)-10,11-Dihydroxy-3-méthyl-7-oxo-8-oxa-3,14-diazaspiro[5.12]octadéc-14-yl]carbonyl}-4-méthoxybenzènesulfonamide [French] [ACD/IUPAC Name]
3-{[(10R,11S)-10,11-Dihydroxy-3-methyl-7-oxo-8-oxa-3,14-diazaspiro[5.12]octadec-14-yl]carbonyl}-4-methoxybenzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 3-[[(10R,11S)-10,11-dihydroxy-3-methyl-7-oxo-8-oxa-3,14-diazaspiro[5.12]octadec-14-yl]carbonyl]-4-methoxy- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 788.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 430.6±35.7 °C
Index of Refraction: 1.612
Molar Refractivity: 133.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -3.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 168 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 68.6±5.0 dyne/cm
Molar Volume: 382.8±5.0 cm3

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