ChemSpider 2D Image | 3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 6-deoxy-2-O-methylhexopyranoside | C28H30O12

3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 6-deoxy-2-O-methylhexopyranoside

  • Molecular FormulaC28H30O12
  • Average mass558.531 Da
  • Monoisotopic mass558.173706 Da
  • ChemSpider ID2339256

More details:

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

3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 6-deoxy-2-O-methylhexopyranoside [ACD/IUPAC Name]
3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-6-desoxy-2-O-methylhexopyranosid [German] [ACD/IUPAC Name]
5,12-Naphthacenedione, 8-acetyl-10-[(6-deoxy-2-O-methylhexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy- [ACD/Index Name]
6-Désoxy-2-O-méthylhexopyranoside de 3-acétyl-3,5,12-trihydroxy-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
124209-61-6 [RN]
7-Dmtd
7-O-(6-Deoxy-2-O-methyltalopyranosyl)daunomycinone

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

Density: 1.6±0.1 g/cm3
Boiling Point: 787.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 261.0±26.4 °C
Index of Refraction: 1.679
Molar Refractivity: 134.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.69
ACD/KOC (pH 5.5): 281.13
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 6.31
ACD/KOC (pH 7.4): 94.85
Polar Surface Area: 189 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 86.0±5.0 dyne/cm
Molar Volume: 355.8±5.0 cm3

Click to predict properties on the Chemicalize site


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