ChemSpider 2D Image | (2Z,4S,4aS,5aR,12aS)-2-[Amino(hydroxy)methylene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5a,6,12a-tetrahydro-1,3,12(2H,4H,5H)-tetracenetrione | C23H27N3O7

(2Z,4S,4aS,5aR,12aS)-2-[Amino(hydroxy)methylene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5a,6,12a-tetrahydro-1,3,12(2H,4H,5H)-tetracenetrione

  • Molecular FormulaC23H27N3O7
  • Average mass457.476 Da
  • Monoisotopic mass457.184906 Da
  • ChemSpider ID23317806

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2Z,4S,4aS,5aR,12aS)-2-[Amino(hydroxy)methylen]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5a,6,12a-tetrahydro-1,3,12(2H,4H,5H)-tetracentrion [German] [ACD/IUPAC Name]
(2Z,4S,4aS,5aR,12aS)-2-[Amino(hydroxy)methylene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5a,6,12a-tetrahydro-1,3,12(2H,4H,5H)-tetracenetrione [ACD/IUPAC Name]
(2Z,4S,4aS,5aR,12aS)-2-[Amino(hydroxy)méthylène]-4,7-bis(diméthylamino)-10,11,12a-trihydroxy-4a,5a,6,12a-tétrahydro-1,3,12(2H,4H,5H)-tétracènetrione [French] [ACD/IUPAC Name]
(2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5a,6,12a-tetrahydrotetracene-1,3,12(2H,4H,5H)-trione
1,3,12(2H,4H,5H)-Naphthacenetrione, 2-(aminohydroxymethylene)-4,7-bis(dimethylamino)-4a,5a,6,12a-tetrahydro-10,11,12a-trihydroxy-, (2Z,4S,4aS,5aR,12aS)- [ACD/Index Name]
(4S,4aS,5aR,12aS,Z)-2-(amino(hydroxy)methylene)-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydrotetracene-1,3,12(2H,4H,12aH)-trione
13614-98-7 [RN]
Klinomycin [Trade name]
Minocin [Trade name]
Minocycline [INN] [Wiki]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 659.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 352.6±31.5 °C
Index of Refraction: 1.718
Molar Refractivity: 116.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 0.81
ACD/LogD (pH 5.5): -0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.36
ACD/LogD (pH 7.4): -1.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 90.0±5.0 dyne/cm
Molar Volume: 294.6±5.0 cm3

Click to predict properties on the Chemicalize site


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