ChemSpider 2D Image | Urdamycin B | C37H44O13

Urdamycin B

  • Molecular FormulaC37H44O13
  • Average mass696.737 Da
  • Monoisotopic mass696.278198 Da
  • ChemSpider ID153308

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1R)-1,5-Anhydro-2,6-dideoxy-3-O-{(2S,5S,6S)-5-[(2,6-dideoxy-β-D-arabino-hexopyranosyl)oxy]-6-methyltetrahydro-2H-pyran-2-yl}-1-[(3R)-3,8-dihydroxy-3-methyl-1,7,12-trioxo-1,2,3,4,7,12-hexahydro-9-t etraphenyl]-D-arabino-hexitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-2,6-didesoxy-3-O-{(2S,5S,6S)-5-[(2,6-didesoxy-β-D-arabino-hexopyranosyl)oxy]-6-methyltetrahydro-2H-pyran-2-yl}-1-[(3R)-3,8-dihydroxy-3-methyl-1,7,12-trioxo-1,2,3,4,7,12-hexahydro-9 -tetraphenyl]-D-arabino-hexitol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-2,6-didésoxy-3-O-{(2S,5S,6S)-5-[(2,6-didésoxy-β-D-arabino-hexopyranosyl)oxy]-6-méthyltétrahydro-2H-pyran-2-yl}-1-[(3R)-3,8-dihydroxy-3-méthyl-1,7,12-trioxo-1,2,3,4,7,12-hexahydro-9 -tétraphényl]-D-arabino-hexitol [French] [ACD/IUPAC Name]
(3R)-9-[2,6-Dideoxy-3-O-[(2S,5S,6S)-5-[(2,6-dideoxy-β-D-arabino-hexopyranosyl)oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-β-D-arabino-hexopyranosyl]-3,4-dihydro-3,8-dihydroxy-3-methylbenz[a]anthracene-1,7,12(2H)-trione
104542-46-3 [RN]
D-arabino-Hexitol, 1,5-anhydro-2,6-dideoxy-3-O-[(2S,5S,6S)-5-[(2,6-dideoxy-β-D-arabino-hexopyranosyl)oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-1-C-[(3R)-1,2,3,4,7,12-hexahydro-3,8-dihydroxy-3-methyl-1 ,7,12-trioxobenz[a]anthracen-9-yl]-, (1R)- [ACD/Index Name]
Urdamycin B
(R)-9-(2,6-Dideoxy-3-O-((2S-(2α,5β,6β))-5-((2,6-dideoxy-β-D-arabino-hexopyranosyl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)-β-D-arabino-hexopyranosyl)-3,4-dihydro-3,8-dihydroxy-3-methylbenz(a)anthracene-1,7,12(2H)-trione
-3-methyl-,(3R)-
Benz(a)anthracene-1,7,12(2H)-trione, 9-(2,6-dideoxy-3-O-((2S-(2α,5β,6β))-5-((2,6-dideoxy-β-D-arabino-hexopyranosyl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)-β-D-arabino-hexopyranosyl)-3,4-dihydro-3,8-dihydroxy-3-methyl-, (R)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C12406 [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: 899.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.0±3.0 kJ/mol
Flash Point: 280.6±27.8 °C
Index of Refraction: 1.657
Molar Refractivity: 173.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 34.73
ACD/KOC (pH 5.5): 415.35
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 2.21
ACD/KOC (pH 7.4): 26.42
Polar Surface Area: 199 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 76.9±5.0 dyne/cm
Molar Volume: 471.9±5.0 cm3

Click to predict properties on the Chemicalize site


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