ChemSpider 2D Image | Rhodomycin D | C28H31NO11

Rhodomycin D

  • Molecular FormulaC28H31NO11
  • Average mass557.546 Da
  • Monoisotopic mass557.189697 Da
  • ChemSpider ID391923

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,2R,4S)-4-[(3-Amino-2,3,6-tridésoxy-α-L-lyxo-hexopyranosyl)oxy]-2-éthyl-2,5,7,12-tétrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracènecarboxylate de méthyle [French] [ACD/IUPAC Name]
1-Naphthacenecarboxylic acid, 4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,12-tetrahydroxy-6,11-dioxo-, methyl ester, (1R,2R,4S)- [ACD/Index Name]
Methyl (1R,2R,4S)-4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate [ACD/IUPAC Name]
Methyl-(1R,2R,4S)-4-[(3-amino-2,3,6-tridesoxy-α-L-lyxo-hexopyranosyl)oxy]-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracencarboxylat [German] [ACD/IUPAC Name]
Rhodomycin D
117016-15-6 [RN]
1-Hydroxy-10-methoxycarbonyl-13-deoxocarminomycin
7-O-(3-Amino-2,3,6-trideoxy-α-hexopyranosyl)-ε-isorhodomycinone
D778-6
methyl (1R,2R,4S)-4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
More...

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

C12426 [DBID]
  • Miscellaneous

    • Chemical Class:

      An anthracycline that is aklavinone having a 3-amino-2,3,6-trideoxy-<stereo>alpha</stereo>-<stereo>L</stereo>-<stereo>lyxo</stereo>-hexopyranosyl residue attached at position 4 via a glycosidic linkag e. ChEBI CHEBI:32096
      An anthracycline that is aklavinone having a 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl residue attached at position 4 via a glycosidic linkag; e. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:32096
      An anthracycline that is aklavinone having a 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl residue attached at position 4 via a glycosidic linkage. ChEBI CHEBI:32096

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

Density: 1.6±0.1 g/cm3
Boiling Point: 700.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 377.1±31.5 °C
Index of Refraction: 1.697
Molar Refractivity: 136.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.66
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.05
Polar Surface Area: 206 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 91.6±5.0 dyne/cm
Molar Volume: 353.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement