ChemSpider 2D Image | (1R,6a'R,7a'R,7b'R)-5'-Hydroxy-5-methoxy-7a',7b'-dihydro-4H-spiro[naphthalene-1,2'-oxireno[2,3]naphtho[1,8-bc]furan]-4,6'(6a'H)-dione | C21H14O6

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

  • Molecular FormulaC21H14O6
  • Average mass362.332 Da
  • Monoisotopic mass362.079041 Da
  • ChemSpider ID28647562

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,6a'R,7a'R,7b'R)-5'-Hydroxy-5-methoxy-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'-hydroxy-5-methoxy-, (1R,6a'R,7a'R,7b'R)- [ACD/Index Name]
Urnucratin B

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

Density: 1.6±0.1 g/cm3
Boiling Point: 659.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 244.1±25.0 °C
Index of Refraction: 1.751
Molar Refractivity: 91.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 87.09
ACD/KOC (pH 5.5): 851.56
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 85.18
ACD/KOC (pH 7.4): 832.85
Polar Surface Area: 85 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 82.2±5.0 dyne/cm
Molar Volume: 224.9±5.0 cm3

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