ChemSpider 2D Image | MFCD07370133 | C28H28O9

MFCD07370133

  • Molecular FormulaC28H28O9
  • Average mass508.517 Da
  • Monoisotopic mass508.173340 Da
  • ChemSpider ID66164

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6S)-2,6-Anhydro-1-deoxy-6-(1-hydroxy-10,12-dimethoxy-6-oxo-8-vinyl-6H-dibenzo[c,h]chromen-4-yl)-4-C-methyl-L-glucitol [ACD/IUPAC Name]
(6S)-2,6-Anhydro-1-desoxy-6-(1-hydroxy-10,12-dimethoxy-6-oxo-8-vinyl-6H-dibenzo[c,h]chromen-4-yl)-4-C-methyl-L-glucitol [German] [ACD/IUPAC Name]
(6S)-2,6-Anhydro-1-désoxy-6-(1-hydroxy-10,12-diméthoxy-6-oxo-8-vinyl-6H-dibenzo[c,h]chromén-4-yl)-4-C-méthyl-L-glucitol [French] [ACD/IUPAC Name]
6H-Benzo(d)naphtho(1,2-b)pyran-6-one, 4-(6-deoxy-3-C-methyl-β-gulopyranosyl)-8-ethenyl-1-hydroxy-10,12-dimethoxy-
82196-88-1 [RN]
Chrysomycin A
L-Glucitol, 2,6-anhydro-1-deoxy-6-C-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxo-6H-benzo[d]naphtho[1,2-b]pyran-4-yl)-4-C-methyl-, (6S)- [ACD/Index Name]
MFCD07370133
4-?(6-?DEOXY-?3-?C-?METHYL-?β-?GULOPYRANOSYL)-?8-?ETHENYL-?1-?HYDROXY-?10,?12-?DIMETHOXY-?6H-?BENZO[D]NAPHTHO[1,?2-?B]PYRAN-?6-?ONE
8-Ethenyl-1-hydroxy-10,12-dimethoxy-4-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-4,6-dimethyloxan-2-yl]naphtho[1,2-c]isochromen-6-one
More...

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

C6616_SIGMA [DBID]
NSC 613946 [DBID]
  • Miscellaneous

    • Bio Activity:

      Antibiotic. Topoisomerase II inhibitor. Mediates a unique cross-linking reaction between DNA and histidine H3. Anti-neoplastic. Photosensitizing compound. Antitumor compound against human cell lines. Hello Bio HB3835
      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio HB3835
      Enzymes/Isomerase/DNA Topoisomerase/Type 2 Hello Bio HB3835
      Topoisomerase II inhibitor Hello Bio HB3835

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

Density: 1.4±0.1 g/cm3
Boiling Point: 799.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 269.6±26.4 °C
Index of Refraction: 1.679
Molar Refractivity: 136.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1294.49
ACD/KOC (pH 5.5): 5876.54
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1205.21
ACD/KOC (pH 7.4): 5471.25
Polar Surface Area: 135 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 361.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement