Found 9 results

Search term: MF = 'C_{31}H_{27}NO_{9}'
ChemSpider 2D Image | 4',9',10-Trihydroxy-6'-methoxy-3-pentyl-7,8-dihydro-2H-spiro[benzo[g]isoquinoline-9,2'-cyclopenta[b]naphthalene]-1,1',3',5',8'(6H)-pentone | C31H27NO9

4',9',10-Trihydroxy-6'-methoxy-3-pentyl-7,8-dihydro-2H-spiro[benzo[g]isoquinoline-9,2'-cyclopenta[b]naphthalene]-1,1',3',5',8'(6H)-pentone

  • Molecular FormulaC31H27NO9
  • Average mass557.547 Da
  • Monoisotopic mass557.168579 Da
  • ChemSpider ID4579436

More details:

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

4',9',10-Trihydroxy-6'-methoxy-3-pentyl-7,8-dihydro-2H-spiro[benzo[g]isoquinoline-9,2'-cyclopenta[b]naphthalene]-1,1',3',5',8'(6H)-pentone [ACD/IUPAC Name]
Spiro[2H-benz[f]indene-2,9'(2'H)-benz[g]isoquinoline]-1,1',3,5,8(6'H)-pentone, 7',8'-dihydro-4,9,10'-trihydroxy-6-methoxy-3'-pentyl- [ACD/Index Name]

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

NCI60_027225 [DBID]
NSC676767 [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: 983.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.3±3.0 kJ/mol
Flash Point: 548.8±34.3 °C
Index of Refraction: 1.725
Molar Refractivity: 141.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 8.44
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: 56.0±0.5 10-24cm3
Surface Tension: 89.6±5.0 dyne/cm
Molar Volume: 355.7±5.0 cm3

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