ChemSpider 2D Image | N-(Diaminomethylene)-4-({[(Z)-[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-3,4,4a,5,5a,6,12,12a-octahydro-2(1H)-tetracenylidene](hydroxy)methyl]amino}methyl) -1-piperazinecarboximidamide | C29H38N8O8

N-(Diaminomethylene)-4-({[(Z)-[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-3,4,4a,5,5a,6,12,12a-octahydro-2(1H)-tetracenylidene](hydroxy)methyl]amino}methyl) -1-piperazinecarboximidamide

  • Molecular FormulaC29H38N8O8
  • Average mass626.661 Da
  • Monoisotopic mass626.281250 Da
  • ChemSpider ID4572222

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-Piperazinecarboximidamide, N-(diaminomethylene)-4-[[[(Z)-[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,4,4a,5,5a,6,12,12a-octahydro-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-2(1H)-naphthacenyliden e]hydroxymethyl]amino]methyl]- [ACD/Index Name]
N-(Diaminomethylen)-4-({[(Z)-[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-3,4,4a,5,5a,6,12,12a-octahydro-2(1H)-tetracenyliden](hydroxy)methyl]amino}methyl)-1 -piperazincarboximidamid [German] [ACD/IUPAC Name]
N-(Diaminomethylene)-4-({[(Z)-[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-3,4,4a,5,5a,6,12,12a-octahydro-2(1H)-tetracenylidene](hydroxy)methyl]amino}methyl) -1-piperazinecarboximidamide [ACD/IUPAC Name]
N-(Diaminométhylène)-4-({[(Z)-[(4S,4aS,5aS,6S,12aS)-4-(diméthylamino)-6,10,11,12a-tétrahydroxy-6-méthyl-1,3,12-trioxo-3,4,4a,5,5a,6,12,12a-octahydro-2(1H)-tétracénylidène](hydroxy)méthyl]amino}méthyl) -1-pipérazinecarboximidamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 849.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.4±3.0 kJ/mol
Flash Point: 467.8±37.1 °C
Index of Refraction: 1.763
Molar Refractivity: 154.5±0.5 cm3
#H bond acceptors: 16
#H bond donors: 11
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.45
ACD/LogD (pH 5.5): -3.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 262 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 79.1±7.0 dyne/cm
Molar Volume: 374.2±7.0 cm3

Click to predict properties on the Chemicalize site


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