ChemSpider 2D Image | N-[(1E)-1-{(2S,4S)-4-[(3-Amino-2,3,6-trideoxy-beta-L-ribo-hexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}ethylidene]benzenecarbohydrazonic acid | C34H35N3O10

N-[(1E)-1-{(2S,4S)-4-[(3-Amino-2,3,6-trideoxy-β-L-ribo-hexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}ethylidene]benzenecarbohydrazonic acid

  • Molecular FormulaC34H35N3O10
  • Average mass645.656 Da
  • Monoisotopic mass645.232239 Da
  • ChemSpider ID57643302

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

Acide N-[(1E)-1-{(2S,4S)-4-[(3-amino-2,3,6-tridésoxy-β-L-ribo-hexopyranosyl)oxy]-2,5,12-trihydroxy-7-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tétracényl}éthylidène]benzènecarbohydrazonique [French] [ACD/IUPAC Name]
Benzenecarbohydrazonic acid, N-[(1E)-1-[(2S,4S)-4-[(3-amino-2,3,6-trideoxy-β-L-ribo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]ethylidene]- [ACD/Index Name]
N-[(1E)-1-{(2S,4S)-4-[(3-Amino-2,3,6-trideoxy-β-L-ribo-hexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}ethylidene]benzenecarbohydrazonic acid [ACD/IUPAC Name]
N-[(1E)-1-{(2S,4S)-4-[(3-Amino-2,3,6-tridesoxy-β-L-ribo-hexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}ethyliden]benzolcarbohydrazonsäure [German] [ACD/IUPAC 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: 882.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.4±3.0 kJ/mol
Flash Point: 487.8±37.1 °C
Index of Refraction: 1.705
Molar Refractivity: 162.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.35
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 1.43
ACD/KOC (pH 7.4): 8.22
Polar Surface Area: 214 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 63.0±7.0 dyne/cm
Molar Volume: 416.9±7.0 cm3

Click to predict properties on the Chemicalize site


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