ChemSpider 2D Image | Maduramicin ? | C47H80O17

Maduramicin ?

  • Molecular FormulaC47H80O17
  • Average mass917.128 Da
  • Monoisotopic mass916.539551 Da
  • ChemSpider ID169976

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

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

[(2R,3S,4S,5R,6S)-6-{(1R)-1-[(2S,5R,7S,8R,9S)-2-{(2S,2'R,3'S,5R,5'R)-3'-{[(2R,4S,5S,6S)-4,5-Dimethoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5'-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyltetrahydro-2H-pyr an-2-yl]-2-methyloctahydro-2,2'-bifuran-5-yl}-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl]ethyl}-2-hydroxy-4,5-dimethoxy-3-methyltetrahydro-2H-pyran-2-yl]acetic acid [ACD/IUPAC Name]
[(2R,3S,4S,5R,6S)-6-{(1R)-1-[(2S,5R,7S,8R,9S)-2-{(2S,2'R,3'S,5R,5'R)-3'-{[(2R,4S,5S,6S)-4,5-Dimethoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5'-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyltetrahydro-2H-pyr an-2-yl]-2-methyloctahydro-2,2'-bifuran-5-yl}-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl]ethyl}-2-hydroxy-4,5-dimethoxy-3-methyltetrahydro-2H-pyran-2-yl]essigsäure [German] [ACD/IUPAC Name]
79356-08-4 [RN]
Acide [(2R,3S,4S,5R,6S)-6-{(1R)-1-[(2S,5R,7S,8R,9S)-2-{(2S,2'R,3'S,5R,5'R)-3'-{[(2R,4S,5S,6S)-4,5-diméthoxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-5'-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-triméthyltétrahydro- 2H-pyran-2-yl]-2-méthyloctahydro-2,2'-bifuran-5-yl}-9-hydroxy-2,8-diméthyl-1,6-dioxaspiro[4.5]déc-7-yl]éthyl}-2-hydroxy-4,5-diméthoxy-3-méthyltétrahydro-2H-pyran-2-yl]acétique [French] [ACD/IUPAC Name]
Maduramicin ?
MADURAMICIN ACID
(3R,4S,5S,6R,7S,22S)-23,27-Didemethoxy-2,6,22-tridemethyl-11-O-demethyl-22-[(2,6-dideoxy-3,4-di-O-methyl-β-L-arabino-hexopyranosyl)oxy]-6-methoxy-lonomycin A
2H-Pyran-2-acetic acid, 6-[(1R)-1-[(2S,5R,7S,8R,9S)-2-[(2S,2'R,3'S,5R,5'R)-3'-[(2,6-dideoxy-3,4-di-O-methyl-b-L-arabino-hexopyranosyl)oxy]octahydro-2-methyl-5'-[(2S,3S,5R,6S)-tetrahydro-6-hydroxy-3,5,6-trimethyl-2H-pyran-2-yl][2,2'-bifuran]-5-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl]ethyl]tetrahydro-2-hydroxy-4,5-dimethoxy-3-methyl-, monoammonium salt, (2R,3S,4S,5R,6S)-
2H-Pyran-2-acetic acid, 6-[(1R)-1-[(2S,5R,7S,8R,9S)-2-[(2S,2'R,3'S,5R,5'R)-3'-[(2,6-dideoxy-3,4-di-O-methyl-b-L-arabino-hexopyranosyl)oxy]octahydro-2-methyl-5'-[(2S,3S,5R,6S)-tetrahydro-6-hydroxy-3,5,6-trimethyl-2H-pyran-2-yl][2,2'-bifuran]-5-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl]ethyl]tetrahydro-2-hydroxy-4,5-dimethoxy-3-methyl-, monoammonium salt, (2R,3S,4S,5R,6S)-84878-61-5 (MONOAMMONIUM SALT)
American Cyanamid 274297
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6S6GVE3CIQ [DBID]
AIDS000826 [DBID]
AIDS-000826 [DBID]
CL-273703 [DBID]
UNII:6S6GVE3CIQ [DBID]
UNII-6S6GVE3CIQ [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 913.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.8±6.0 kJ/mol
Flash Point: 255.5±27.8 °C
Index of Refraction: 1.549
Molar Refractivity: 232.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 19.94
ACD/KOC (pH 5.5): 119.29
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.08
Polar Surface Area: 209 Å2
Polarizability: 92.0±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 730.2±5.0 cm3

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