ChemSpider 2D Image | 2-(4,6'-Dihydroxy-2',5',5',8a'-tetramethyl-7-oxo-3',4',4a',5,5',6',7,7',8',8a'-decahydro-2'H-spiro[furo[2,3-f]isoindole-2,1'-naphthalen]-6(3H)-yl)pentanedioic acid | C28H37NO8

2-(4,6'-Dihydroxy-2',5',5',8a'-tetramethyl-7-oxo-3',4',4a',5,5',6',7,7',8',8a'-decahydro-2'H-spiro[furo[2,3-f]isoindole-2,1'-naphthalen]-6(3H)-yl)pentanedioic acid

  • Molecular FormulaC28H37NO8
  • Average mass515.595 Da
  • Monoisotopic mass515.251892 Da
  • ChemSpider ID412725

More details:

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

2-(4,6'-Dihydroxy-2',5',5',8a'-tetramethyl-7-oxo-3',4',4a',5,5',6',7,7',8',8a'-decahydro-2'H-spiro[furo[2,3-f]isoindole-2,1'-naphthalen]-6(3H)-yl)pentanedioic acid [ACD/IUPAC Name]
Pentanedioic acid, 2-(3',4',4'a,5,5',6',7,7',8',8'a-decahydro-4,6'-dihydroxy-2',5',5',8'a-tetramethyl-7-oxospiro[2H-furo[2,3-f]isoindole-2,1'(2'H)-naphthalen]-6(3H)-yl)- [ACD/Index Name]
Spirodihydrobenzofuranlactam IV

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

AIDS060448 [DBID]
AIDS-060448 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 747.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 405.8±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 132.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 72.2±5.0 dyne/cm
Molar Volume: 367.4±5.0 cm3

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