ChemSpider 2D Image | N-[({(Z)-Hydroxy[(4aS,5aS,6S)-6,10,11,12a-tetrahydroxy-4-isopropyl-6-methyl-1,3,12-trioxo-3,4,4a,5,5a,6,12,12a-octahydro-2(1H)-tetracenylidene]methyl}amino)methyl]threonine | C28H34N2O11

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

  • Molecular FormulaC28H34N2O11
  • Average mass574.576 Da
  • Monoisotopic mass574.216248 Da
  • ChemSpider ID4586953
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 7 defined stereocentres


More details:






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

N-[({(Z)-Hydroxy[(4aS,5aS,6S)-6,10,11,12a-tetrahydroxy-4-isopropyl-6-methyl-1,3,12-trioxo-3,4,4a,5,5a,6,12,12a-octahydro-2(1H)-tetracenyliden]methyl}amino)methyl]threonin [German] [ACD/IUPAC Name]
N-[({(Z)-Hydroxy[(4aS,5aS,6S)-6,10,11,12a-tetrahydroxy-4-isopropyl-6-methyl-1,3,12-trioxo-3,4,4a,5,5a,6,12,12a-octahydro-2(1H)-tetracenylidene]methyl}amino)methyl]threonine [ACD/IUPAC Name]
N-[({(Z)-Hydroxy[(4aS,5aS,6S)-6,10,11,12a-tétrahydroxy-4-isopropyl-6-méthyl-1,3,12-trioxo-3,4,4a,5,5a,6,12,12a-octahydro-2(1H)-tétracénylidène]méthyl}amino)méthyl]thréonine [French] [ACD/IUPAC Name]
Threonine, N-[[[(Z)-hydroxy[(4aS,5aS,6S)-3,4,4a,5,5a,6,12,12a-octahydro-6,10,11,12a-tetrahydroxy-6-methyl-4-(1-methylethyl)-1,3,12-trioxo-2(1H)-naphthacenylidene]methyl]amino]methyl]- [ACD/Index Name]

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

AIDS051096 [DBID]
AIDS-051096 [DBID]
NSC56712 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 836.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.4±3.0 kJ/mol
Flash Point: 459.6±34.3 °C
Index of Refraction: 1.692
Molar Refractivity: 139.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.43
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 234 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 91.9±5.0 dyne/cm
Molar Volume: 365.0±5.0 cm3

Click to predict properties on the Chemicalize site






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