ChemSpider 2D Image | N-{(5R)-5-[(1R,3R,7E,17beta)-1,3-Dihydroxy-9,10-secoestra-5,7-dien-17-yl]hexyl}-2-hydroxyethanesulfonamide | C26H45NO5S

N-{(5R)-5-[(1R,3R,7E,17β)-1,3-Dihydroxy-9,10-secoestra-5,7-dien-17-yl]hexyl}-2-hydroxyethanesulfonamide

  • Molecular FormulaC26H45NO5S
  • Average mass483.704 Da
  • Monoisotopic mass483.301849 Da
  • ChemSpider ID25034633

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

Ethanesulfonamide, N-[(5R)-5-[(1R,3aS,4E,7aR)-4-[2-[(3R,5R)-3,5-dihydroxycyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]hexyl]-2-hydroxy- [ACD/Index Name]
N-{(5R)-5-[(1R,3R,7E,17β)-1,3-Dihydroxy-9,10-secoestra-5,7-dien-17-yl]hexyl}-2-hydroxyethanesulfonamide [ACD/IUPAC Name]
N-{(5R)-5-[(1R,3R,7E,17β)-1,3-Dihydroxy-9,10-sécoestra-5,7-dién-17-yl]hexyl}-2-hydroxyéthanesulfonamide [French] [ACD/IUPAC Name]
N-{(5R)-5-[(1R,3R,7E,17β)-1,3-Dihydroxy-9,10-secoestra-5,7-dien-17-yl]hexyl}-2-hydroxyethansulfonamid [German] [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: 656.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.7±6.0 kJ/mol
Flash Point: 351.0±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 132.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 626.79
ACD/KOC (pH 5.5): 3497.71
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 626.66
ACD/KOC (pH 7.4): 3496.99
Polar Surface Area: 115 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 390.7±3.0 cm3

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