ChemSpider 2D Image | urdamycin N6 | C27H28O9

urdamycin N6

  • Molecular FormulaC27H28O9
  • Average mass496.506 Da
  • Monoisotopic mass496.173340 Da
  • ChemSpider ID71044335

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R)-1,5-Anhydro-2,6-dideoxy-1-[(5S,6S)-1,8-dihydroxy-5,6-dimethoxy-3-methyl-7,12-dioxo-5,6,7,12-tetrahydro-9-tetraphenyl]-D-arabino-hexitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-2,6-didesoxy-1-[(5S,6S)-1,8-dihydroxy-5,6-dimethoxy-3-methyl-7,12-dioxo-5,6,7,12-tetrahydro-9-tetraphenyl]-D-arabino-hexitol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-2,6-didésoxy-1-[(5S,6S)-1,8-dihydroxy-5,6-diméthoxy-3-méthyl-7,12-dioxo-5,6,7,12-tétrahydro-9-tétraphényl]-D-arabino-hexitol [French] [ACD/IUPAC Name]
D-arabino-Hexitol, 1,5-anhydro-2,6-dideoxy-1-C-[(5S,6S)-5,6,7,12-tetrahydro-1,8-dihydroxy-5,6-dimethoxy-3-methyl-7,12-dioxobenz[a]anthracen-9-yl]-, (1R)- [ACD/Index Name]
urdamycin N6

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

Density: 1.5±0.1 g/cm3
Boiling Point: 722.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 243.6±26.4 °C
Index of Refraction: 1.679
Molar Refractivity: 125.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 286.08
ACD/KOC (pH 5.5): 1847.91
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 11.99
ACD/KOC (pH 7.4): 77.48
Polar Surface Area: 143 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 77.1±5.0 dyne/cm
Molar Volume: 332.9±5.0 cm3

Click to predict properties on the Chemicalize site


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