ChemSpider 2D Image | (3R,3aS,4S,6aR)-3,4,5-Tris(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-2-one | C10H14O5

(3R,3aS,4S,6aR)-3,4,5-Tris(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-2-one

  • Molecular FormulaC10H14O5
  • Average mass214.215 Da
  • Monoisotopic mass214.084122 Da
  • ChemSpider ID24713341

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,3aS,4S,6aR)-3,4,5-Tris(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-2-on [German] [ACD/IUPAC Name]
(3R,3aS,4S,6aR)-3,4,5-Tris(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-2-one [ACD/IUPAC Name]
(3R,3aS,4S,6aR)-3,4,5-Tris(hydroxyméthyl)-3,3a,4,6a-tétrahydro-2H-cyclopenta[b]furan-2-one [French] [ACD/IUPAC Name]
2H-Cyclopenta[b]furan-2-one, 3,3a,4,6a-tetrahydro-3,4,5-tris(hydroxymethyl)-, (3R,3aS,4S,6aR)- [ACD/Index Name]
(3R,3aS,4S,6aR)-3,4,5-tris(hydroxymethyl)-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
[249916-07-2] [RN]
249916-07-2 [RN]
Borreriagenin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL509602/
MFCD20260927

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

Density: 1.4±0.1 g/cm3
Boiling Point: 511.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.1±6.0 kJ/mol
Flash Point: 208.8±22.2 °C
Index of Refraction: 1.552
Molar Refractivity: 50.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.19
ACD/LogD (pH 5.5): -1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.02
ACD/LogD (pH 7.4): -1.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.02
Polar Surface Area: 87 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 157.5±3.0 cm3

Click to predict properties on the Chemicalize site


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