ChemSpider 2D Image | (2S,3S,4R,6R)-8-chloro-3-hydroxy-4,12-dimethyl-2-propyl-1,3,4,6-tetrahydro-2H-2,6-methanotetrapheno[9,8-c][1,5]oxazocine-9,16-dione | C28H26ClNO4

(2S,3S,4R,6R)-8-chloro-3-hydroxy-4,12-dimethyl-2-propyl-1,3,4,6-tetrahydro-2H-2,6-methanotetrapheno[9,8-c][1,5]oxazocine-9,16-dione

  • Molecular FormulaC28H26ClNO4
  • Average mass475.963 Da
  • Monoisotopic mass475.155029 Da
  • ChemSpider ID23310933

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,21S,22S,23R)-4-Chlor-22-hydroxy-11,23-dimethyl-21-propyl-24-oxa-20-azahexacyclo[19.3.1.02,19.05,18.07,16.08,13]pentacosa-2,4,7(16),8,10,12,14,18-octaen-6,17-dion [German] [ACD/IUPAC Name]
(1R,21S,22S,23R)-4-Chloro-22-hydroxy-11,23-dimethyl-21-propyl-24-oxa-20-azahexacyclo[19.3.1.02,19.05,18.07,16.08,13]pentacosa-2,4,7(16),8,10,12,14,18-octaene-6,17-dione [ACD/IUPAC Name]
(1R,21S,22S,23R)-4-Chloro-22-hydroxy-11,23-diméthyl-21-propyl-24-oxa-20-azahexacyclo[19.3.1.02,19.05,18.07,16.08,13]pentacosa-2,4,7(16),8,10,12,14,18-octaène-6,17-dione [French] [ACD/IUPAC Name]
(2S,3S,4R,6R)-8-chloro-3-hydroxy-4,12-dimethyl-2-propyl-1,3,4,6-tetrahydro-2H-2,6-methanotetrapheno[9,8-c][1,5]oxazocine-9,16-dione
2,6-Methano-2H-benz[5,6]anthra[2,1-c][1,5]oxazocine-9,16-dione, 8-chloro-1,3,4,6-tetrahydro-3-hydroxy-4,12-dimethyl-2-propyl-, (2S,3S,4R,6R)- [ACD/Index Name]
marmycin B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 704.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 379.5±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 130.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 6.52
ACD/BCF (pH 5.5): 53284.88
ACD/KOC (pH 5.5): 84116.92
ACD/LogD (pH 7.4): 6.52
ACD/BCF (pH 7.4): 53285.41
ACD/KOC (pH 7.4): 84117.75
Polar Surface Area: 76 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 355.4±3.0 cm3

Click to predict properties on the Chemicalize site


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