ChemSpider 2D Image | N'-(1-{4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2-hydroxyethylidene)octanehydrazide | C35H45N3O11

N'-(1-{4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2-hydroxyethylidene)octanehydrazide

  • Molecular FormulaC35H45N3O11
  • Average mass683.745 Da
  • Monoisotopic mass683.305420 Da
  • ChemSpider ID75797

More details:

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

N'-(1-{4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2-hydroxyethylidene)octanehydrazide [ACD/IUPAC Name]
N'-(1-{4-[(3-Amino-2,3,6-tridesoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2-hydroxyethyliden)octanhydrazid [German] [ACD/IUPAC Name]
N'-(1-{4-[(3-Amino-2,3,6-tridésoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tétracényl}-2-hydroxyéthylidène)octanehydrazide [French] [ACD/IUPAC Name]
Octanoic acid, 2-[1-[4-[(3-amino-2,3,6-trideoxyhexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-hydroxyethylidene]hydrazide [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.664
Molar Refractivity: 170.1±0.5 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 1.14
ACD/KOC (pH 5.5): 6.02
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 13.77
ACD/KOC (pH 7.4): 72.73
Polar Surface Area: 230 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 458.6±7.0 cm3

Click to predict properties on the Chemicalize site


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