ChemSpider 2D Image | grincamycin L | C31H36O12

grincamycin L

  • Molecular FormulaC31H36O12
  • Average mass600.610 Da
  • Monoisotopic mass600.220703 Da
  • ChemSpider ID97745216

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R)-1,5-Anhydro-1-{6-[(2R)-3-carboxy-2-hydroxy-2-methylpropyl]-1,5-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl}-2,6-dideoxy-4-O-[(2S,5S,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-D-arabino-h exitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-{6-[(2R)-3-carboxy-2-hydroxy-2-methylpropyl]-1,5-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl}-2,6-didesoxy-4-O-[(2S,5S,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-D-arabino- hexitol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-{6-[(2R)-3-carboxy-2-hydroxy-2-méthylpropyl]-1,5-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracényl}-2,6-didésoxy-4-O-[(2S,5S,6S)-5-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]-D-arabino- hexitol [French] [ACD/IUPAC Name]
D-arabino-Hexitol, 1,5-anhydro-1-C-[6-[(2R)-3-carboxy-2-hydroxy-2-methylpropyl]-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-2-anthracenyl]-2,6-dideoxy-4-O-[(2S,5S,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran- 2-yl]-, (1R)- [ACD/Index Name]
grincamycin L

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

Density: 1.5±0.1 g/cm3
Boiling Point: 827.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.0±3.0 kJ/mol
Flash Point: 267.5±27.8 °C
Index of Refraction: 1.669
Molar Refractivity: 147.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 2.30
ACD/KOC (pH 5.5): 25.26
ACD/LogD (pH 7.4): -1.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 84.1±5.0 dyne/cm
Molar Volume: 396.3±5.0 cm3

Click to predict properties on the Chemicalize site


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