ChemSpider 2D Image | N'-[(1E)-1-{(2S,4S)-4-[(3-Amino-2,3,6-trideoxy-L-lyxo-hexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2-hydroxyethylidene]-6-(2,5-dioxo-2,5-dihydro-1H-py rrol-1-yl)hexanehydrazide | C37H42N4O13

N'-[(1E)-1-{(2S,4S)-4-[(3-Amino-2,3,6-trideoxy-L-lyxo-hexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2-hydroxyethylidene]-6-(2,5-dioxo-2,5-dihydro-1H-py rrol-1-yl)hexanehydrazide

  • Molecular FormulaC37H42N4O13
  • Average mass750.748 Da
  • Monoisotopic mass750.274841 Da
  • ChemSpider ID90662462

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-2,5-dioxo-, 2-[(1E)-1-[(2S,4S)-4-[(3-amino-2,3,6-trideoxy-L-lyxo-hexopyranosyl)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]
N'-[(1E)-1-{(2S,4S)-4-[(3-Amino-2,3,6-trideoxy-L-lyxo-hexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2-hydroxyethylidene]-6-(2,5-dioxo-2,5-dihydro-1H-py rrol-1-yl)hexanehydrazide [ACD/IUPAC Name]
N'-[(1E)-1-{(2S,4S)-4-[(3-Amino-2,3,6-tridesoxy-L-lyxo-hexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2-hydroxyethyliden]-6-(2,5-dioxo-2,5-dihydro-1H-py rrol-1-yl)hexanhydrazid [German] [ACD/IUPAC Name]
N'-[(1E)-1-{(2S,4S)-4-[(3-Amino-2,3,6-tridésoxy-L-lyxo-hexopyranosyl)oxy]-2,5,12-trihydroxy-7-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tétracényl}-2-hydroxyéthylidène]-6-(2,5-dioxo-2,5-dihydro-1H-p yrrol-1-yl)hexanehydrazide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.708
Molar Refractivity: 182.6±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.08
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.82
Polar Surface Area: 268 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 69.0±7.0 dyne/cm
Molar Volume: 468.1±7.0 cm3

Click to predict properties on the Chemicalize site


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