ChemSpider 2D Image | (1S,17R,19S)-9,9,16,16-Tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.0~1,17~.0~3,15~.0~4,13~.0~7,12~.0~19,23~]hexacosa-2,4,6,10,12,14-hexaene-24,26-dione 14-oxide | C26H27N3O4

(1S,17R,19S)-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-hexaene-24,26-dione 14-oxide

  • Molecular FormulaC26H27N3O4
  • Average mass445.510 Da
  • Monoisotopic mass445.200165 Da
  • ChemSpider ID29215689

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,17R,19S) 14-Oxyde de 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-hexaène-24,26-dione [French] [ACD/IUPAC Name]
(1S,17R,19S)-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-hexaen-24,26-dion-14-oxid [German] [ACD/IUPAC Name]
(1S,17R,19S)-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-hexaene-24,26-dione 14-oxide [ACD/IUPAC Name]
8H,10H-7a,12a-(Iminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazole-8,16-dione, 3,11,12,13,13a,14-hexahydro-3,3,14,14-tetramethyl-, 15-oxide, (7aS,12aS,13aR)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.706
Molar Refractivity: 121.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 595.09
ACD/KOC (pH 5.5): 3370.13
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 594.99
ACD/KOC (pH 7.4): 3369.59
Polar Surface Area: 87 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 312.4±5.0 cm3

Click to predict properties on the Chemicalize site


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