Found 1 result

Search term: XIWNICMUIFXBAM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 6-Hydroxy-1-methyl-4,5,12-trioxo-5,12-dihydro-4H-benzo[h]naphtho[8,1,2-cde]chromen-10-yl 6-deoxy-2-O-(6-deoxy-3,4-di-O-methyl-alpha-D-galactopyranosyl)-beta-D-galactopyranoside | C34H34O14

6-Hydroxy-1-methyl-4,5,12-trioxo-5,12-dihydro-4H-benzo[h]naphtho[8,1,2-cde]chromen-10-yl 6-deoxy-2-O-(6-deoxy-3,4-di-O-methyl-α-D-galactopyranosyl)-β-D-galactopyranoside

  • Molecular FormulaC34H34O14
  • Average mass666.625 Da
  • Monoisotopic mass666.194885 Da
  • ChemSpider ID8136972

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4H-Benzo[2,3]phenanthro[4,5-bcd]pyran-4,5,12-trione, 10-[[6-deoxy-2-O-(6-deoxy-3,4-di-O-methyl-α-D-galactopyranosyl)-β-D-galactopyranosyl]oxy]-6-hydroxy-1-methyl- [ACD/Index Name]
6-Désoxy-2-O-(6-désoxy-3,4-di-O-méthyl-α-D-galactopyranosyl)-β-D-galactopyranoside de 6-hydroxy-1-méthyl-4,5,12-trioxo-5,12-dihydro-4H-benzo[h]naphto[8,1,2-cde]chromén-10-yle [French] [ACD/IUPAC Name]
6-Hydroxy-1-methyl-4,5,12-trioxo-5,12-dihydro-4H-benzo[h]naphtho[8,1,2-cde]chromen-10-yl 6-deoxy-2-O-(6-deoxy-3,4-di-O-methyl-α-D-galactopyranosyl)-β-D-galactopyranoside [ACD/IUPAC Name]
6-Hydroxy-1-methyl-4,5,12-trioxo-5,12-dihydro-4H-benzo[h]naphtho[8,1,2-cde]chromen-10-yl-6-desoxy-2-O-(6-desoxy-3,4-di-O-methyl-α-D-galactopyranosyl)-β-D-galactopyranosid [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 933.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.2±3.0 kJ/mol
Flash Point: 299.5±27.8 °C
Index of Refraction: 1.693
Molar Refractivity: 162.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 154.93
ACD/KOC (pH 5.5): 1188.22
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 7.85
ACD/KOC (pH 7.4): 60.18
Polar Surface Area: 197 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 82.7±5.0 dyne/cm
Molar Volume: 424.1±5.0 cm3

Click to predict properties on the Chemicalize site


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