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Search term: GLLQRSNTBBQHPX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,6a'R,7a'R,7b'R)-5,5'-Dihydroxy-7a',7b'-dihydro-4H-spiro[naphthalene-1,2'-oxireno[2,3]naphtho[1,8-bc]furan]-4,6'(6a'H)-dione | C20H12O6

(1R,6a'R,7a'R,7b'R)-5,5'-Dihydroxy-7a',7b'-dihydro-4H-spiro[naphthalene-1,2'-oxireno[2,3]naphtho[1,8-bc]furan]-4,6'(6a'H)-dione

  • Molecular FormulaC20H12O6
  • Average mass348.306 Da
  • Monoisotopic mass348.063385 Da
  • ChemSpider ID28533836

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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(1R,6a'R,7a'R,7b'R)-5,5'-Dihydroxy-7a',7b'-dihydro-4H-spiro[naphthalene-1,2'-oxireno[2,3]naphtho[1,8-bc]furan]-4,6'(6a'H)-dione [ACD/IUPAC Name]
Spiro[naphthalene-1(4H),2'-[2H]oxireno[2,3]naphtho[1,8-bc]furan]-4,6'(6a'H)-dione, 7'a,7'b-dihydro-5,5'-dihydroxy-, (1R,6a'R,7a'R,7b'R)- [ACD/Index Name]
urnucratin A

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

Density: 1.7±0.1 g/cm3
Boiling Point: 673.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 253.0±25.0 °C
Index of Refraction: 1.818
Molar Refractivity: 86.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 103.27
ACD/KOC (pH 5.5): 957.21
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 42.73
ACD/KOC (pH 7.4): 396.09
Polar Surface Area: 96 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 100.8±5.0 dyne/cm
Molar Volume: 200.1±5.0 cm3

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