ChemSpider 2D Image | Notoamide I | C26H27N3O4

Notoamide I

  • Molecular FormulaC26H27N3O4
  • Average mass445.510 Da
  • Monoisotopic mass445.200165 Da
  • ChemSpider ID23344410

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,17S,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-3(15),4,6,10,12-pentaen-2,24,26-trion [German] [ACD/IUPAC Name]
(1R,17S,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-3(15),4,6,10,12-pentaene-2,24,26-trione [ACD/IUPAC Name]
(1R,17S,19S)-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-3(15),4,6,10,12-pentaène-2,24,26-trione [French] [ACD/IUPAC Name]
8H,10H-7a,12a-(Iminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazole-7,8,16(3H)-trione, 11,12,13,13a,14,15-hexahydro-3,3,14,14-tetramethyl-, (7aR,12aS,13aS)- [ACD/Index Name]
Notoamide I
(7aR,12aS,13aS)-3,3,14,14-tetramethyl-11,12,13,13a,14,15-hexahydro-10H-7a,12a-(epiminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazole-7,8,16(3H)-trione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL518633/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 776.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 423.1±32.9 °C
Index of Refraction: 1.715
Molar Refractivity: 120.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 360.70
ACD/KOC (pH 5.5): 2355.11
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 360.68
ACD/KOC (pH 7.4): 2354.98
Polar Surface Area: 92 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 73.1±5.0 dyne/cm
Molar Volume: 307.6±5.0 cm3

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