ChemSpider 2D Image | (4S,4aS,5aR,12aS)-4,7-Bis(dimethylamino)-10,12,12a-trihydroxy-9-({N-[2-(~2~H_3_)methyl(~2~H_6_)-2-propanyl]glycyl}amino)-1,3,11-trioxo-1,2,3,4,4a,5,5a,6,11,12a-decahydro-2-tetracenecarboxamide | C29H30D9N5O8

(4S,4aS,5aR,12aS)-4,7-Bis(dimethylamino)-10,12,12a-trihydroxy-9-({N-[2-(2H3)methyl(2H6)-2-propanyl]glycyl}amino)-1,3,11-trioxo-1,2,3,4,4a,5,5a,6,11,12a-decahydro-2-tetracenecarboxamide

  • Molecular FormulaC29H30D9N5O8
  • Average mass594.704 Da
  • Monoisotopic mass594.336365 Da
  • ChemSpider ID113064137

  • defined stereocentres - 4 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4S,4aS,5aR,12aS)-4,7-Bis(dimethylamino)-10,12,12a-trihydroxy-9-({N-[2-(2H3)methyl(2H6)-2-propanyl]glycyl}amino)-1,3,11-trioxo-1,2,3,4,4a,5,5a,6,11,12a-decahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(4S,4aS,5aR,12aS)-4,7-Bis(dimethylamino)-10,12,12a-trihydroxy-9-({N-[2-(2H3)methyl(2H6)-2-propanyl]glycyl}amino)-1,3,11-trioxo-1,2,3,4,4a,5,5a,6,11,12a-decahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4S,4aS,5aR,12aS)-4,7-Bis(diméthylamino)-10,12,12a-trihydroxy-9-({N-[2-(2H3)méthyl(2H6)-2-propanyl]glycyl}amino)-1,3,11-trioxo-1,2,3,4,4a,5,5a,6,11,12a-décahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-9-[[2-[[1,1-di(methyl-d3)ethyl-2,2,2-d3]amino]acetyl]amino]-1,2,3,4,4a,5,5a,6,11,12a-decahydro-10,12,12a-trihydroxy-1,3,11-trioxo-, (4S,4aS,5aR,12a 
S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 915.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.4±3.0 kJ/mol
Flash Point: 507.4±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 150.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.66
ACD/LogD (pH 5.5): -2.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 76.1±5.0 dyne/cm
Molar Volume: 409.7±5.0 cm3

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