ChemSpider 2D Image | LSM-42688 | C26H27N3O4

LSM-42688

  • Molecular FormulaC26H27N3O4
  • Average mass445.510 Da
  • Monoisotopic mass445.200165 Da
  • ChemSpider ID65321829

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(17S) 14-Oxyde de 26-hydroxy-9,9,16,16-tétraméthyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.01,17.03,15.04,13.07,12.019,23]hexacosa-2,4,6,10,12,14,25-heptaén-24-one [French] [ACD/IUPAC Name]
(17S)-26-Hydroxy-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.01,17.03,15.04,13.07,12.019,23]hexacosa-2,4,6,10,12,14,25-heptaen-24-on-14-oxid [German] [ACD/IUPAC Name]
(17S)-26-Hydroxy-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.01,17.03,15.04,13.07,12.019,23]hexacosa-2,4,6,10,12,14,25-heptaen-24-one 14-oxide [ACD/IUPAC Name]
8H,10H-7a,12a-(Nitrilometheno)indolizino[6,7-h]pyrano[3,2-a]carbazol-8-one, 3,11,12,13,13a,14-hexahydro-16-hydroxy-3,3,14,14-tetramethyl-, 15-oxide, (13aS)- [ACD/Index Name]
LSM-42688

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

Density: 1.5±0.1 g/cm3
Boiling Point: 732.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 396.5±35.7 °C
Index of Refraction: 1.760
Molar Refractivity: 120.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 512.01
ACD/KOC (pH 5.5): 2851.36
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 39.25
ACD/KOC (pH 7.4): 218.56
Polar Surface Area: 91 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 63.2±7.0 dyne/cm
Molar Volume: 293.7±7.0 cm3

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