ChemSpider 2D Image | Rhodomycin A | C36H48N2O12

Rhodomycin A

  • Molecular FormulaC36H48N2O12
  • Average mass700.773 Da
  • Monoisotopic mass700.320740 Da
  • ChemSpider ID8072101

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,2R,4S)-2-Ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-(dimethylamino)-α-L-ly xo-hexopyranoside [ACD/IUPAC Name]
(1R,2R,4S)-2-Ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-{[2,3,6-tridesoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydro-1-tetracenyl-2,3,6-tridesoxy-3-(dimethylamino)-α-L- lyxo-hexopyranosid [German] [ACD/IUPAC Name]
2,3,6-Tridésoxy-3-(diméthylamino)-α-L-lyxo-hexopyranoside de (1R,2R,4S)-2-éthyl-2,5,7,12-tétrahydroxy-6,11-dioxo-4-{[2,3,6-tridésoxy-3-(diméthylamino)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11- hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-7,10-bis[[2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-, (7R,8R,10S)- [ACD/Index Name]
Rhodomycin A
β-rhodomycin II
(7S,9R,10R)-7,10-bis[[(2R,4S,5S,6S)-4-dimethylamino-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
(7S,9R,10R)-7,10-bis[[(2R,4S,5S,6S)-4-dimethylamino-5-hydroxy-6-methyloxan-2-yl]oxy]-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
(7S,9R,10R)-7,10-bis[[(2R,4S,5S,6S)-4-dimethylamino-5-hydroxy-6-methyl-oxan-2-yl]oxy]-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
(7S,9R,10R)-7,10-bis[[(2R,4S,5S,6S)-4-dimethylamino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy]-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
More...

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

6E9E3X300A [DBID]
UNII:6E9E3X300A [DBID]
UNII-6E9E3X300A [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 803.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.5±3.0 kJ/mol
Flash Point: 439.8±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 178.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 1.76
ACD/KOC (pH 7.4): 9.86
Polar Surface Area: 199 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 78.6±5.0 dyne/cm
Molar Volume: 480.5±5.0 cm3

Click to predict properties on the Chemicalize site


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