ChemSpider 2D Image | (2Z)-2-[Amino(hydroxy)methylene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-9-(4-morpholinylmethyl)-4a,5a,6,12a-tetrahydro-1,3,12(2H,4H,5H)-tetracenetrione | C27H33N3O9

(2Z)-2-[Amino(hydroxy)methylene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-9-(4-morpholinylmethyl)-4a,5a,6,12a-tetrahydro-1,3,12(2H,4H,5H)-tetracenetrione

  • Molecular FormulaC27H33N3O9
  • Average mass543.566 Da
  • Monoisotopic mass543.221680 Da
  • ChemSpider ID4676912

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-[Amino(hydroxy)methylen]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-9-(4-morpholinylmethyl)-4a,5a,6,12a-tetrahydro-1,3,12(2H,4H,5H)-tetracentrion [German] [ACD/IUPAC Name]
(2Z)-2-[Amino(hydroxy)methylene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-9-(4-morpholinylmethyl)-4a,5a,6,12a-tetrahydro-1,3,12(2H,4H,5H)-tetracenetrione [ACD/IUPAC Name]
(2Z)-2-[Amino(hydroxy)méthylène]-4-(diméthylamino)-6,10,11,12a-tétrahydroxy-6-méthyl-9-(4-morpholinylméthyl)-4a,5a,6,12a-tétrahydro-1,3,12(2H,4H,5H)-tétracènetrione [French] [ACD/IUPAC Name]
1,3,12(2H,4H,5H)-Naphthacenetrione, 2-(aminohydroxymethylene)-4-(dimethylamino)-4a,5a,6,12a-tetrahydro-6,10,11,12a-tetrahydroxy-6-methyl-9-(4-morpholinylmethyl)-, (2Z)- [ACD/Index Name]
2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-9-(morpholinomethyl)-1,11-dioxo-
67238-91-9 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 747.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.4±3.0 kJ/mol
Flash Point: 405.9±32.9 °C
Index of Refraction: 1.721
Molar Refractivity: 135.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: -0.88
ACD/LogD (pH 5.5): -2.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 94.6±5.0 dyne/cm
Molar Volume: 343.7±5.0 cm3

Click to predict properties on the Chemicalize site


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