ChemSpider 2D Image | Cosmomycin B | C40H53NO14

Cosmomycin B

  • Molecular FormulaC40H53NO14
  • Average mass771.847 Da
  • Monoisotopic mass771.346619 Da
  • ChemSpider ID138140
  • defined stereocentres - 13 of 13 defined stereocentres


More details:






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

(1R,2R)-2-Ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2S,5S,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-α-L-lyxo-hexopyrano syl}-3-(dimethylamino)-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1R,2R)-2-Ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-2,3,6-tridesoxy-4-O-{2,6-didesoxy-4-O-[(2S,5S,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-α-L-lyxo-hexopyra nosyl}-3-(dimethylamino)-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
2,3,6-Tridésoxy-4-O-{2,6-didésoxy-4-O-[(2S,5S,6S)-5-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl}-3-(diméthylamino)-α-L-lyxo-hexopyranoside de (1R,2R)-2-éthyl-2,5,7,12-tétr ahydroxy-6,11-dioxo-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-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2S,5S,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl]-3- (dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-, (7R,8R)- [ACD/Index Name]
Cosmomycin B
40795-73-1 [RN]
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-ethyl-1,6,8,11-tetrahydroxy-7-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2S-(2-α,5-β,6-β))-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-α-L-lyxo-hexopyranosyl)-3-(dimethylamino)-α-L-lyxo-hexopyranosyl)oxy)-, (7R-trans)-
77517-27-2 [RN]
Retamycin E 2
Rhodilunacin B
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 895.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.3±3.0 kJ/mol
Flash Point: 495.1±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 194.4±0.4 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 15.27
ACD/KOC (pH 5.5): 52.81
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 47.88
ACD/KOC (pH 7.4): 165.55
Polar Surface Area: 214 Å2
Polarizability: 77.1±0.5 10-24cm3
Surface Tension: 76.0±5.0 dyne/cm
Molar Volume: 532.5±5.0 cm3

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