ChemSpider 2D Image | (4S,5S,6R,12aS)-4-(Dimethylamino)-1,5,10,12,12a-pentahydroxy-6-methyl-3,11-dioxo-9-(L-tyrosylamino)-3,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide | C31H34N4O10

(4S,5S,6R,12aS)-4-(Dimethylamino)-1,5,10,12,12a-pentahydroxy-6-methyl-3,11-dioxo-9-(L-tyrosylamino)-3,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide

  • Molecular FormulaC31H34N4O10
  • Average mass622.622 Da
  • Monoisotopic mass622.227478 Da
  • ChemSpider ID23194492

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(4S,5S,6R,12aS)-4-(Dimethylamino)-1,5,10,12,12a-pentahydroxy-6-methyl-3,11-dioxo-9-(L-tyrosylamino)-3,4,4a,5,5a,6,11,12a-octahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(4S,5S,6R,12aS)-4-(Dimethylamino)-1,5,10,12,12a-pentahydroxy-6-methyl-3,11-dioxo-9-(L-tyrosylamino)-3,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4S,5S,6R,12aS)-4-(Diméthylamino)-1,5,10,12,12a-pentahydroxy-6-méthyl-3,11-dioxo-9-(L-tyrosylamino)-3,4,4a,5,5a,6,11,12a-octahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
(4S,5S,6R,12aS)-4-(dimethylamino)-1,5,10,12,12a-pentahydroxy-6-methyl-3,11-dioxo-9-(L-tyrosylamino)-3,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
2-Naphthacenecarboxamide, 9-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-(dimethylamino)-3,4,4a,5,5a,6,11,12a-octahydro-1,5,10,12,12a-pentahydroxy-6-methyl-3,11-dioxo-, (4S,5S,6R,12aS)- [ACD/Index Name]
1N-[2-carbamoyl-4-dimethylamino-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-(4S,5S,6R,12aS)-1,4,4a,5,5a,6,11,12a-octahydro-9-naphthacenyl]-2-amino-3-(4-hydroxyphenyl)-(2S)-propanamide

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

Density: 1.6±0.1 g/cm3
Boiling Point: 979.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.5±3.0 kJ/mol
Flash Point: 546.1±34.3 °C
Index of Refraction: 1.756
Molar Refractivity: 156.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 11
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -1.40
ACD/LogD (pH 5.5): -3.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 257 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 105.5±5.0 dyne/cm
Molar Volume: 382.0±5.0 cm3

Click to predict properties on the Chemicalize site


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