ChemSpider 2D Image | 6-Deoxy-2,4-di-O-methyl-N-[(6S)-1,6,8-trihydroxy-6a-methoxy-2-(methoxycarbonyl)-3-methyl-7,9,12,14-tetraoxo-5,6,6a,7,9,12,14,14a-octahydrobenzo[a]tetracen-11-yl]-beta-L-mannopyranosylamine | C34H35NO14

6-Deoxy-2,4-di-O-methyl-N-[(6S)-1,6,8-trihydroxy-6a-methoxy-2-(methoxycarbonyl)-3-methyl-7,9,12,14-tetraoxo-5,6,6a,7,9,12,14,14a-octahydrobenzo[a]tetracen-11-yl]-β-L-mannopyranosylamine

  • Molecular FormulaC34H35NO14
  • Average mass681.640 Da
  • Monoisotopic mass681.205750 Da
  • ChemSpider ID44210839

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

6-Deoxy-2,4-di-O-methyl-N-[(6S)-1,6,8-trihydroxy-6a-methoxy-2-(methoxycarbonyl)-3-methyl-7,9,12,14-tetraoxo-5,6,6a,7,9,12,14,14a-octahydrobenzo[a]tetracen-11-yl]-β-L-mannopyranosylamine [ACD/IUPAC Name]
6-Desoxy-2,4-di-O-methyl-N-[(6S)-1,6,8-trihydroxy-6a-methoxy-2-(methoxycarbonyl)-3-methyl-7,9,12,14-tetraoxo-5,6,6a,7,9,12,14,14a-octahydrobenzo[a]tetracen-11-yl]-β-L-mannopyranosylamin [German] [ACD/IUPAC Name]
6-Désoxy-2,4-di-O-méthyl-N-[(6S)-1,6,8-trihydroxy-6a-méthoxy-2-(méthoxycarbonyl)-3-méthyl-7,9,12,14-tétraoxo-5,6,6a,7,9,12,14,14a-octahydrobenzo[a]tétracén-11-yl]-β-L-mannopyranosylamine [French] [ACD/IUPAC Name]
β-L-Mannopyranosylamine, 6-deoxy-2,4-di-O-methyl-N-[(6S)-5,6,6a,7,9,12,14,14a-octahydro-1,6,8-trihydroxy-6a-methoxy-2-(methoxycarbonyl)-3-methyl-7,9,12,14-tetraoxobenzo[a]naphthacen-11-yl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 925.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.0±3.0 kJ/mol
Flash Point: 513.5±34.3 °C
Index of Refraction: 1.674
Molar Refractivity: 163.7±0.4 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 10.28
ACD/KOC (pH 5.5): 43.89
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 1.23
ACD/KOC (pH 7.4): 5.27
Polar Surface Area: 224 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 83.1±5.0 dyne/cm
Molar Volume: 436.1±5.0 cm3

Click to predict properties on the Chemicalize site


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