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Search term: ZNZVDVHDXYQEBB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3-methyl-7,12-dioxo-7,12-dihydro-8-tetraphenyl 6-deoxy-alpha-L-mannopyranoside | C31H32O12

1-[(6-Deoxy-α-L-mannopyranosyl)oxy]-3-methyl-7,12-dioxo-7,12-dihydro-8-tetraphenyl 6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC31H32O12
  • Average mass596.579 Da
  • Monoisotopic mass596.189392 Da
  • ChemSpider ID34981516

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

1-[(6-Deoxy-α-L-mannopyranosyl)oxy]-3-methyl-7,12-dioxo-7,12-dihydro-8-tetraphenyl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
1-[(6-Desoxy-α-L-mannopyranosyl)oxy]-3-methyl-7,12-dioxo-7,12-dihydro-8-tetraphenyl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranoside de 1-[(6-désoxy-α-L-mannopyranosyl)oxy]-3-méthyl-7,12-dioxo-7,12-dihydro-8-tétraphényle [French] [ACD/IUPAC Name]
Benz[a]anthracene-7,12-dione, 1,8-bis[(6-deoxy-α-L-mannopyranosyl)oxy]-3-methyl- [ACD/Index Name]
actinosporin D
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3339197/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 898.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.9±3.0 kJ/mol
Flash Point: 294.8±27.8 °C
Index of Refraction: 1.702
Molar Refractivity: 149.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.23
ACD/KOC (pH 5.5): 97.74
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.23
ACD/KOC (pH 7.4): 97.74
Polar Surface Area: 192 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 81.0±3.0 dyne/cm
Molar Volume: 386.5±3.0 cm3

Click to predict properties on the Chemicalize site


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