ChemSpider 2D Image | Fredericamycin E | C31H23NO10

Fredericamycin E

  • Molecular FormulaC31H23NO10
  • Average mass569.515 Da
  • Monoisotopic mass569.132202 Da
  • ChemSpider ID23314707

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2R)-5,8,9,9',10-Pentahydroxy-7-methoxy-3'-[(1E,3E)-1,3-pentadien-1-yl]-6',7'-dihydro-1H-spiro[anthracene-2,8'-cyclopenta[g]isoquinoline]-1,1',3,4(2'H)-tetrone [ACD/IUPAC Name]
(2R)-5,8,9,9',10-pentahydroxy-7-methoxy-3'-[(1E,3E)-penta-1,3-dien-1-yl]-6',7'-dihydro-1H-spiro[anthracene-2,8'-cyclopenta[g]isoquinoline]-1,1',3,4(2'H)-tetrone
Fredericamycin E
Spiro[anthracene-2(1H),8'-[8H]cyclopent[g]isoquinoline]-1,1',3,4(2'H)-tetrone, 6',7'-dihydro-5,8,9,9',10-pentahydroxy-7-methoxy-3'-[(1E,3E)-1,3-pentadien-1-yl]-, (2R)- [ACD/Index Name]
fdm e

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1067.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.8±3.0 kJ/mol
Flash Point: 599.3±34.3 °C
Index of Refraction: 1.822
Molar Refractivity: 145.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.22
ACD/KOC (pH 5.5): 11.51
ACD/LogD (pH 7.4): -2.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 112.9±5.0 dyne/cm
Molar Volume: 333.4±5.0 cm3

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