ChemSpider 2D Image | arboxamide | C29H38N8O8

arboxamide

  • Molecular FormulaC29H38N8O8
  • Average mass626.661 Da
  • Monoisotopic mass626.281006 Da
  • ChemSpider ID20127155

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4R,4aR,5aR,6R,12aR)-N-({4-[{[Amino(imino)methyl]amino}(imino)methyl]piperazin-1-yl}methyl)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-c
(4R,4aR,5aR,6R,12aR)-N-{[4-(N-Carbamimidoylcarbamimidoyl)-1-piperazinyl]methyl}-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(4R,4aR,5aR,6R,12aR)-N-{[4-(N-Carbamimidoylcarbamimidoyl)-1-piperazinyl]methyl}-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4R,4aR,5aR,6R,12aR)-N-{[4-(N-Carbamimidoylcarbamimidoyl)-1-pipérazinyl]méthyl}-4-(diméthylamino)-3,6,10,12,12a-pentahydroxy-6-méthyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
2-Naphthacenecarboxamide, N-[[4-[[(aminoiminomethyl)amino]iminomethyl]-1-piperazinyl]methyl]-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4R,4aR,5 aR,6R,12aR)- [ACD/Index Name]
arboxamide

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

Density: 1.7±0.0 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.763
Molar Refractivity: 154.5±0.0 cm3
#H bond acceptors: 16
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.21
ACD/LogD (pH 5.5): -6.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 260 Å2
Polarizability: 61.2±0.0 10-24cm3
Surface Tension: 79.1±0.0 dyne/cm
Molar Volume: 374.2±0.0 cm3

Click to predict properties on the Chemicalize site


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