ChemSpider 2D Image | Medermycin | C24H27NO8

Medermycin

  • Molecular FormulaC24H27NO8
  • Average mass457.473 Da
  • Monoisotopic mass457.173676 Da
  • ChemSpider ID28653215

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R)-1,5-Anhydro-2,3,6-trideoxy-3-(dimethylamino)-1-[(3aR,5R,11bR)-7-hydroxy-5-methyl-2,6,11-trioxo-3,3a,5,6,11,11b-hexahydro-2H-benzo[g]furo[3,2-c]isochromen-8-yl]-D-arabino-hexitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-2,3,6-tridesoxy-3-(dimethylamino)-1-[(3aR,5R,11bR)-7-hydroxy-5-methyl-2,6,11-trioxo-3,3a,5,6,11,11b-hexahydro-2H-benzo[g]furo[3,2-c]isochromen-8-yl]-D-arabino-hexitol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-2,3,6-tridésoxy-3-(diméthylamino)-1-[(3aR,5R,11bR)-7-hydroxy-5-méthyl-2,6,11-trioxo-3,3a,5,6,11,11b-hexahydro-2H-benzo[g]furo[3,2-c]isochromén-8-yl]-D-arabino-hexitol [French] [ACD/IUPAC Name]
60227-09-0 [RN]
D-arabino-Hexitol, 1,5-anhydro-2,3,6-trideoxy-3-(dimethylamino)-1-C-[(3aR,5R,11bR)-3,3a,5,6,11,11b-hexahydro-7-hydroxy-5-methyl-2,6,11-trioxo-2H-furo[3,2-b]naphtho[2,3-d]pyran-8-yl]-, (1R)- [ACD/Index Name]
Medermycin
100100-36-5 [RN]
LACTOQUINOMYCIN
Lactoquinomycin A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 696.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 375.0±31.5 °C
Index of Refraction: 1.643
Molar Refractivity: 113.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.20
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.47
Polar Surface Area: 123 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 314.6±5.0 cm3

Click to predict properties on the Chemicalize site


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