ChemSpider 2D Image | 4-amino-4-de(dimethylamino)anhydrotetracycline | C20H18N2O7

4-amino-4-de(dimethylamino)anhydrotetracycline

  • Molecular FormulaC20H18N2O7
  • Average mass398.366 Da
  • Monoisotopic mass398.111389 Da
  • ChemSpider ID30791257

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S,4aS,12aS)-4-Amino-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydro-2-tetracencarboxamid [German] [ACD/IUPAC Name]
(4S,4aS,12aS)-4-Amino-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydro-2-tetracenecarboxamide [ACD/IUPAC Name]
(4S,4aS,12aS)-4-Amino-3,10,11,12a-tétrahydroxy-6-méthyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydro-2-tétracènecarboxamide [French] [ACD/IUPAC Name]
2-Naphthacenecarboxamide, 4-amino-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-, (4S,4aS,12aS)- [ACD/Index Name]
4-amino-4-de(dimethylamino)anhydrotetracycline
4-amino-4-de(dimethylamino)anhydrotetracycline zwitterion
(1S,4aS,12aS)-1-azaniumyl-3-carbamoyl-4a,6,7-trihydroxy-11-methyl-4,5-dioxo-1,4,4a,5,12,12a-hexahydrotetracen-2-olate
(4S,4aS,12aS)-4-amino-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide
(4S,4aS,12aS)-4-amino-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide
4-amino-4-dedimethylamino-anhydrotetracycline
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 727.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 393.5±32.9 °C
Index of Refraction: 1.813
Molar Refractivity: 100.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 2.17
ACD/LogD (pH 5.5): -1.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 184 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 113.3±3.0 dyne/cm
Molar Volume: 232.5±3.0 cm3

Click to predict properties on the Chemicalize site


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