ChemSpider 2D Image | Steffimycin B | C29H32O13

Steffimycin B

  • Molecular FormulaC29H32O13
  • Average mass588.557 Da
  • Monoisotopic mass588.184265 Da
  • ChemSpider ID8070382

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2S,3S)-3,10,12-Trihydroxy-2,8-dimethoxy-3-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 6-deoxy-2,4-di-O-methyl-α-L-mannopyranoside [ACD/IUPAC Name]
(1R,2S,3S)-3,10,12-Trihydroxy-2,8-dimethoxy-3-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-6-desoxy-2,4-di-O-methyl-α-L-mannopyranosid [German] [ACD/IUPAC Name]
1,6,11(2H)-Naphthacenetrione, 4-[(6-deoxy-2,4-di-O-methyl-α-L-mannopyranosyl)oxy]-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-, (2S,3S,4R)- [ACD/Index Name]
54526-94-2 [RN]
6-Désoxy-2,4-di-O-méthyl-α-L-mannopyranoside de (1R,2S,3S)-3,10,12-trihydroxy-2,8-diméthoxy-3-méthyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
Steffimycin B
(2S,3S,4R)-2,5,7-Trihydroxy-4-[(2S,3R,4R,5R,6S)-4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione

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

Density: 1.5±0.1 g/cm3
Boiling Point: 801.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.2±3.0 kJ/mol
Flash Point: 262.3±27.8 °C
Index of Refraction: 1.648
Molar Refractivity: 140.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 92.49
ACD/KOC (pH 5.5): 594.90
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.13
Polar Surface Area: 188 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 76.6±5.0 dyne/cm
Molar Volume: 387.1±5.0 cm3

Click to predict properties on the Chemicalize site


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