ChemSpider 2D Image | (10S,13S,16S)-6-Hydroxy-10-[(1R)-1-hydroxyethyl]-N-(2-methoxyethyl)-13-methyl-8,11,14-trioxo-2-oxa-9,12,15-triazatricyclo[16.2.2.1~3,7~]tricosa-1(20),3(23),4,6,18,21-hexaene-16-carboxamide | C26H32N4O8

(10S,13S,16S)-6-Hydroxy-10-[(1R)-1-hydroxyethyl]-N-(2-methoxyethyl)-13-methyl-8,11,14-trioxo-2-oxa-9,12,15-triazatricyclo[16.2.2.13,7]tricosa-1(20),3(23),4,6,18,21-hexaene-16-carboxamide

  • Molecular FormulaC26H32N4O8
  • Average mass528.554 Da
  • Monoisotopic mass528.221985 Da
  • ChemSpider ID62730334

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(10S,13S,16S)-6-Hydroxy-10-[(1R)-1-hydroxyethyl]-N-(2-methoxyethyl)-13-methyl-8,11,14-trioxo-2-oxa-9,12,15-triazatricyclo[16.2.2.13,7]tricosa-1(20),3(23),4,6,18,21-hexaen-16-carboxamid [German] [ACD/IUPAC Name]
(10S,13S,16S)-6-Hydroxy-10-[(1R)-1-hydroxyethyl]-N-(2-methoxyethyl)-13-methyl-8,11,14-trioxo-2-oxa-9,12,15-triazatricyclo[16.2.2.13,7]tricosa-1(20),3(23),4,6,18,21-hexaene-16-carboxamide [ACD/IUPAC Name]
(10S,13S,16S)-6-Hydroxy-10-[(1R)-1-hydroxyéthyl]-N-(2-méthoxyéthyl)-13-méthyl-8,11,14-trioxo-2-oxa-9,12,15-triazatricyclo[16.2.2.13,7]tricosa-1(20),3(23),4,6,18,21-hexaène-16-carboxamide [French] [ACD/IUPAC Name]
2-Oxa-9,12,15-triazatricyclo[16.2.2.13,7]tricosa-3,5,7(23),18,20,21-hexaene-16-carboxamide, 6-hydroxy-10-[(1R)-1-hydroxyethyl]-N-(2-methoxyethyl)-13-methyl-8,11,14-trioxo-, (10S,13S,16S)- [ACD/Index 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: 969.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.0±3.0 kJ/mol
Flash Point: 540.2±34.3 °C
Index of Refraction: 1.546
Molar Refractivity: 134.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -0.31
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.65
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.36
Polar Surface Area: 175 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 425.3±3.0 cm3

Click to predict properties on the Chemicalize site


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