ChemSpider 2D Image | (1R,2R,2'S,3a'S,4'R,7a'R)-2,2'-Dihydroxy-2',4,4'-trimethyl-3a',4',5',7a'-tetrahydro-3H,7'H-spiro[cyclohex-4-ene-1,3'-furo[2,3-c]pyran]-3,7'-dione | C15H20O6

(1R,2R,2'S,3a'S,4'R,7a'R)-2,2'-Dihydroxy-2',4,4'-trimethyl-3a',4',5',7a'-tetrahydro-3H,7'H-spiro[cyclohex-4-ene-1,3'-furo[2,3-c]pyran]-3,7'-dione

  • Molecular FormulaC15H20O6
  • Average mass296.316 Da
  • Monoisotopic mass296.125977 Da
  • ChemSpider ID82964252

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2R,2'S,3a'S,4'R,7a'R)-2,2'-Dihydroxy-2',4,4'-trimethyl-3a',4',5',7a'-tetrahydro-3H,7'H-spiro[cyclohex-4-ene-1,3'-furo[2,3-c]pyran]-3,7'-dione [ACD/IUPAC Name]
Spiro[cyclohex-4-ene-1,3'(7'H)-[2H]furo[2,3-c]pyran]-3,7'-dione, 3'a,4',5',7'a-tetrahydro-2,2'-dihydroxy-2',4,4'-trimethyl-, (1R,2R,2'S,3a'S,4'R,7a'R)- [ACD/Index Name]
(2S,3R,3aS,4R,6'R,7aR)-2,6'-dihydroxy-2,2',4-trimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione
Cyclocalopin A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 541.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.2±6.0 kJ/mol
Flash Point: 204.3±23.6 °C
Index of Refraction: 1.574
Molar Refractivity: 71.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.33
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.04
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.04
Polar Surface Area: 93 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 217.4±5.0 cm3

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