ChemSpider 2D Image | Steffimycin | C28H30O13

Steffimycin

  • Molecular FormulaC28H30O13
  • Average mass574.530 Da
  • Monoisotopic mass574.168640 Da
  • ChemSpider ID28527893

  • 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-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-O-methyl-α-L-mannopyranosid [German] [ACD/IUPAC Name]
1,6,11(2H)-Naphthacenetrione, 4-[(6-deoxy-2-O-methyl-α-L-mannopyranosyl)oxy]-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-, (2S,3S,4R)- [ACD/Index Name]
11033-34-4 [RN]
6-Désoxy-2-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

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

2529 [DBID]
48V353KY77 [DBID]
UNII:48V353KY77 [DBID]
UNII-48V353KY77 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 813.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.0±3.0 kJ/mol
Flash Point: 269.3±27.8 °C
Index of Refraction: 1.674
Molar Refractivity: 136.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 43.12
ACD/KOC (pH 5.5): 344.20
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 85.5±5.0 dyne/cm
Molar Volume: 362.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement