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Search term: 40256698 (Found by CSID)
ChemSpider 2D Image | difluostatin | C36H22O9

difluostatin

  • Molecular FormulaC36H22O9
  • Average mass598.555 Da
  • Monoisotopic mass598.126404 Da
  • ChemSpider ID40256698

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1aS,10S,10aS)-4,5-Dihydroxy-1a-methyl-10-(1,6,7-trihydroxy-3-methyl-11-oxo-11H-benzo[a]fluoren-5-yl)-10,10a-dihydro-1aH-indeno[1',2':7,8]naphtho[2,3-b]oxiren-2,9-dion [German] [ACD/IUPAC Name]
(1aS,10S,10aS)-4,5-Dihydroxy-1a-methyl-10-(1,6,7-trihydroxy-3-methyl-11-oxo-11H-benzo[a]fluoren-5-yl)-10,10a-dihydro-1aH-indeno[1',2':7,8]naphtho[2,3-b]oxirene-2,9-dione [ACD/IUPAC Name]
(1aS,10S,10aS)-4,5-Dihydroxy-1a-méthyl-10-(1,6,7-trihydroxy-3-méthyl-11-oxo-11H-benzo[a]fluorén-5-yl)-10,10a-dihydro-1aH-indéno[1',2':7,8]naphto[2,3-b]oxirène-2,9-dione [French] [ACD/IUPAC Name]
2H-Indeno[1',2':7,8]naphth[2,3-b]oxirene-2,9(1aH)-dione, 10,10a-dihydro-4,5-dihydroxy-1a-methyl-10-(1,6,7-trihydroxy-3-methyl-11-oxo-11H-benzo[a]fluoren-5-yl)-, (1aS,10S,10aS)- [ACD/Index Name]
c5np90052B - difluostatin
difluostatin
Difluostatin A

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.856
Molar Refractivity: 159.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3579.42
ACD/KOC (pH 5.5): 12014.47
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 448.09
ACD/KOC (pH 7.4): 1504.04
Polar Surface Area: 165 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 100.1±3.0 dyne/cm
Molar Volume: 354.8±3.0 cm3

Click to predict properties on the Chemicalize site


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