ChemSpider 2D Image | (3S,6S,10S,11R,12S,13R,17S)-11,12-Dihydroxy-4-methyl-18-(tetrahydro-2H-pyran-4-ylcarbonyl)-22-oxa-1,4,7,15,18-pentaazatetracyclo[15.3.1.1~3,6~.1~10,13~]tricosane-2,8,16-trione | C24H37N5O8

(3S,6S,10S,11R,12S,13R,17S)-11,12-Dihydroxy-4-methyl-18-(tetrahydro-2H-pyran-4-ylcarbonyl)-22-oxa-1,4,7,15,18-pentaazatetracyclo[15.3.1.13,6.110,13]tricosane-2,8,16-trione

  • Molecular FormulaC24H37N5O8
  • Average mass523.579 Da
  • Monoisotopic mass523.264221 Da
  • ChemSpider ID65261045

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3S,6S,10S,11R,12S,13R,17S)-11,12-Dihydroxy-4-methyl-18-(tetrahydro-2H-pyran-4-ylcarbonyl)-22-oxa-1,4,7,15,18-pentaazatetracyclo[15.3.1.13,6.110,13]tricosan-2,8,16-trion [German] [ACD/IUPAC Name]
(3S,6S,10S,11R,12S,13R,17S)-11,12-Dihydroxy-4-methyl-18-(tetrahydro-2H-pyran-4-ylcarbonyl)-22-oxa-1,4,7,15,18-pentaazatetracyclo[15.3.1.13,6.110,13]tricosane-2,8,16-trione [ACD/IUPAC Name]
(3S,6S,10S,11R,12S,13R,17S)-11,12-Dihydroxy-4-méthyl-18-(tétrahydro-2H-pyran-4-ylcarbonyl)-22-oxa-1,4,7,15,18-pentaazatétracyclo[15.3.1.13,6.110,13]tricosane-2,8,16-trione [French] [ACD/IUPAC Name]
22-Oxa-1,4,7,15,18-pentaazatetracyclo[15.3.1.13,6.110,13]tricosane-2,8,16-trione, 11,12-dihydroxy-4-methyl-18-[(tetrahydro-2H-pyran-4-yl)carbonyl]-, (3S,6S,10S,11R,12S,13R,17S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 906.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.5±6.0 kJ/mol
Flash Point: 501.7±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 128.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: -4.49
ACD/LogD (pH 5.5): -6.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 161 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 73.9±5.0 dyne/cm
Molar Volume: 361.1±5.0 cm3

Click to predict properties on the Chemicalize site


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