ChemSpider 2D Image | (1R)-1,5-Anhydro-2,6-dideoxy-1-(1,8-dihydroxy-3-methyl-7,12-dioxo-7,12-dihydro-9-tetraphenyl)-4-O-[(2S,5R,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-D-arabino-hexitol | C31H32O9

(1R)-1,5-Anhydro-2,6-dideoxy-1-(1,8-dihydroxy-3-methyl-7,12-dioxo-7,12-dihydro-9-tetraphenyl)-4-O-[(2S,5R,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-D-arabino-hexitol

  • Molecular FormulaC31H32O9
  • Average mass548.580 Da
  • Monoisotopic mass548.204651 Da
  • ChemSpider ID35516827

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R)-1,5-Anhydro-2,6-dideoxy-1-(1,8-dihydroxy-3-methyl-7,12-dioxo-7,12-dihydro-9-tetraphenyl)-4-O-[(2S,5R,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-D-arabino-hexitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-2,6-didesoxy-1-(1,8-dihydroxy-3-methyl-7,12-dioxo-7,12-dihydro-9-tetraphenyl)-4-O-[(2S,5R,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-D-arabino-hexitol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-2,6-didésoxy-1-(1,8-dihydroxy-3-méthyl-7,12-dioxo-7,12-dihydro-9-tétraphényl)-4-O-[(2S,5R,6S)-5-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]-D-arabino-hexitol [French] [ACD/IUPAC Name]
D-arabino-Hexitol, 1,5-anhydro-2,6-dideoxy-1-C-(7,12-dihydro-1,8-dihydroxy-3-methyl-7,12-dioxobenz[a]anthracen-9-yl)-4-O-[(2S,5R,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]-, (1R)- [ACD/Index Name]
Marangucycline A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 778.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 256.0±26.4 °C
Index of Refraction: 1.697
Molar Refractivity: 143.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 510.13
ACD/KOC (pH 5.5): 2830.53
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 26.54
ACD/KOC (pH 7.4): 147.24
Polar Surface Area: 143 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 78.2±5.0 dyne/cm
Molar Volume: 373.0±5.0 cm3

Click to predict properties on the Chemicalize site


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