ChemSpider 2D Image | [4',7',8,9'-Tetramethoxy-7-(methoxycarbonyl)-5',8'-dioxo-3,4,5',8'-tetrahydro-3'H-spiro[chromene-2,2'-naphtho[2,3-b]furan]-6-yl]acetic acid | C28H26O12

[4',7',8,9'-Tetramethoxy-7-(methoxycarbonyl)-5',8'-dioxo-3,4,5',8'-tetrahydro-3'H-spiro[chromene-2,2'-naphtho[2,3-b]furan]-6-yl]acetic acid

  • Molecular FormulaC28H26O12
  • Average mass554.499 Da
  • Monoisotopic mass554.142456 Da
  • ChemSpider ID74077548

More details:

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

[4',7',8,9'-Tetramethoxy-7-(methoxycarbonyl)-5',8'-dioxo-3,4,5',8'-tetrahydro-3'H-spiro[chromene-2,2'-naphtho[2,3-b]furan]-6-yl]acetic acid [ACD/IUPAC Name]
Spiro[2H-1-benzopyran-2,2'(3'H)-naphtho[2,3-b]furan]-6-acetic acid, 3,4,5',8'-tetrahydro-4',7',8,9'-tetramethoxy-7-(methoxycarbonyl)-5',8'-dioxo- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 843.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.5±3.0 kJ/mol
Flash Point: 282.6±27.8 °C
Index of Refraction: 1.639
Molar Refractivity: 133.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 5.23
ACD/KOC (pH 5.5): 42.49
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 153 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 70.9±5.0 dyne/cm
Molar Volume: 370.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement