ChemSpider 2D Image | 6,9,12a-Trihydroxy-8-[hydroxy(methoxy)methyl]-2,4a-dimethoxy-7-methyl-4,5,12-trioxo-1,4,4a,5,12,12a-hexahydro-1-tetracenyl 6-deoxy-2,3,4-tri-O-methylhexopyranoside | C32H38O15

6,9,12a-Trihydroxy-8-[hydroxy(methoxy)methyl]-2,4a-dimethoxy-7-methyl-4,5,12-trioxo-1,4,4a,5,12,12a-hexahydro-1-tetracenyl 6-deoxy-2,3,4-tri-O-methylhexopyranoside

  • Molecular FormulaC32H38O15
  • Average mass662.635 Da
  • Monoisotopic mass662.221069 Da
  • ChemSpider ID433532

More details:






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

1,5,12(4H)-Naphthacenetrione, 4-[(6-deoxy-2,3,4-tri-O-methylhexopyranosyl)oxy]-4a,12a-dihydro-4a,8,11-trihydroxy-9-(hydroxymethoxymethyl)-3,12a-dimethoxy-10-methyl- [ACD/Index Name]
6,9,12a-Trihydroxy-8-(hydroxy(methoxy)methyl)-2,4a-dimethoxy-7-methyl-4,5,12-trioxo-1,4,4a,5,12,12a-hexahydro-1-naphthacenyl 6-deoxy-2,3,4-tri-O-methylhexopyranoside
6,9,12a-Trihydroxy-8-[hydroxy(methoxy)methyl]-2,4a-dimethoxy-7-methyl-4,5,12-trioxo-1,4,4a,5,12,12a-hexahydro-1-tetracenyl 6-deoxy-2,3,4-tri-O-methylhexopyranoside [ACD/IUPAC Name]
6,9,12a-Trihydroxy-8-[hydroxy(methoxy)methyl]-2,4a-dimethoxy-7-methyl-4,5,12-trioxo-1,4,4a,5,12,12a-hexahydro-1-tetracenyl-6-desoxy-2,3,4-tri-O-methylhexopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-2,3,4-tri-O-méthylhexopyranoside de 6,9,12a-trihydroxy-8-[hydroxy(méthoxy)méthyl]-2,4a-diméthoxy-7-méthyl-4,5,12-trioxo-1,4,4a,5,12,12a-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
Isoelloramycin

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

AIDS139359 [DBID]
AIDS-139359 [DBID]
NSC648397 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 847.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.0±3.0 kJ/mol
Flash Point: 268.9±27.8 °C
Index of Refraction: 1.633
Molar Refractivity: 160.0±0.4 cm3
#H bond acceptors: 15
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 194.31
ACD/KOC (pH 5.5): 1406.68
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 10.07
ACD/KOC (pH 7.4): 72.92
Polar Surface Area: 206 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 448.0±5.0 cm3

Click to predict properties on the Chemicalize site






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