Found 154 results

Search term: MF = 'C_{29}H_{40}N_{4}O_{7}'
ChemSpider 2D Image | (4S,4aS,5aR,12aS)-4,7-Bis(dimethylamino)-10,12a-dihydroxy-9-{[(2-methylbutyl)amino]methyl}-1,3,11,12-tetraoxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydro-2-tetracenecarboxamide | C29H40N4O7

(4S,4aS,5aR,12aS)-4,7-Bis(dimethylamino)-10,12a-dihydroxy-9-{[(2-methylbutyl)amino]methyl}-1,3,11,12-tetraoxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydro-2-tetracenecarboxamide

  • Molecular FormulaC29H40N4O7
  • Average mass556.651 Da
  • Monoisotopic mass556.289673 Da
  • ChemSpider ID8363220

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

(4S,4aS,5aR,12aS)-4,7-Bis(dimethylamino)-10,12a-dihydroxy-9-{[(2-methylbutyl)amino]methyl}-1,3,11,12-tetraoxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(4S,4aS,5aR,12aS)-4,7-Bis(dimethylamino)-10,12a-dihydroxy-9-{[(2-methylbutyl)amino]methyl}-1,3,11,12-tetraoxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4S,4aS,5aR,12aS)-4,7-Bis(diméthylamino)-10,12a-dihydroxy-9-{[(2-méthylbutyl)amino]méthyl}-1,3,11,12-tétraoxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodécahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydro-10,12a-dihydroxy-9-[[(2-methylbutyl)amino]methyl]-1,3,11,12-tetraoxo-, (4S,4aS,5aR,12aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 847.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.0±3.0 kJ/mol
Flash Point: 466.2±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 145.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.97
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.02
Polar Surface Area: 170 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 67.7±5.0 dyne/cm
Molar Volume: 412.8±5.0 cm3

Click to predict properties on the Chemicalize site


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