ChemSpider 2D Image | 3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(leucylamino)hexopyranoside | C33H40N2O12

3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(leucylamino)hexopyranoside

  • Molecular FormulaC33H40N2O12
  • Average mass656.677 Da
  • Monoisotopic mass656.258118 Da
  • ChemSpider ID2843872

More details:

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

2,3,6-Tridésoxy-3-(leucylamino)hexopyranoside de 3,5,12-trihydroxy-3-(2-hydroxyacétyl)-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(leucylamino)hexopyranoside [ACD/IUPAC Name]
3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-2,3,6-tridesoxy-3-(leucylamino)hexopyranosid [German] [ACD/IUPAC Name]
5,12-Naphthacenedione, 10-[[3-[(2-amino-4-methyl-1-oxopentyl)amino]-2,3,6-trideoxyhexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 916.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.6±3.0 kJ/mol
Flash Point: 507.9±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 163.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.44
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.96
Polar Surface Area: 235 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 83.5±5.0 dyne/cm
Molar Volume: 438.2±5.0 cm3

Click to predict properties on the Chemicalize site


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