ChemSpider 2D Image | (8S)-1',3',9-Trihydroxy-6'-methoxy-3-[(1E,3E)-1,3-pentadien-1-yl]-6,7-dihydrospiro[cyclopenta[g]isoquinoline-8,2'-cyclopenta[b]naphthalene]-1,4',5',8',9'(2H)-pentone | C30H21NO9

(8S)-1',3',9-Trihydroxy-6'-methoxy-3-[(1E,3E)-1,3-pentadien-1-yl]-6,7-dihydrospiro[cyclopenta[g]isoquinoline-8,2'-cyclopenta[b]naphthalene]-1,4',5',8',9'(2H)-pentone

  • Molecular FormulaC30H21NO9
  • Average mass539.489 Da
  • Monoisotopic mass539.121643 Da
  • ChemSpider ID78439808

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(8S)-1',3',9-Trihydroxy-6'-methoxy-3-[(1E,3E)-1,3-pentadien-1-yl]-6,7-dihydrospiro[cyclopenta[g]isoquinoline-8,2'-cyclopenta[b]naphthalene]-1,4',5',8',9'(2H)-pentone [ACD/IUPAC Name]
Spiro[2H-benz[f]indene-2,8'-[8H]cyclopent[g]isoquinoline]-1',4,5,8,9(2'H)-pentone, 6',7'-dihydro-1,3,9'-trihydroxy-6-methoxy-3'-[(1E,3E)-1,3-pentadien-1-yl]-, (2S)- [ACD/Index Name]
fredericamycin A

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

Density: 1.6±0.1 g/cm3
Boiling Point: 861.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.1±3.0 kJ/mol
Flash Point: 474.7±34.3 °C
Index of Refraction: 1.769
Molar Refractivity: 135.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 2.42
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 167 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 93.1±5.0 dyne/cm
Molar Volume: 327.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement