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Search term: YPXKKOMPEGAWMY-JQOCIHOLSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (5Z)-4-Hydroxy-3-[(2R)-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]-5-{[(2R)-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]methylene}-2(5H)-furanone | C27H28O7

(5Z)-4-Hydroxy-3-[(2R)-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]-5-{[(2R)-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]methylene}-2(5H)-furanone

  • Molecular FormulaC27H28O7
  • Average mass464.507 Da
  • Monoisotopic mass464.183502 Da
  • ChemSpider ID26325987

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5Z)-4-Hydroxy-3-[(2R)-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]-5-{[(2R)-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]methylen}-2(5H)-furanon [German] [ACD/IUPAC Name]
(5Z)-4-Hydroxy-3-[(2R)-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]-5-{[(2R)-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]methylene}-2(5H)-furanone [ACD/IUPAC Name]
(5Z)-4-Hydroxy-3-[(2R)-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]-5-{[(2R)-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]méthylène}-2(5H)-furanone [French] [ACD/IUPAC Name]
(5z)-4-Hydroxy-3-[(2r)-2-(2-Hydroxypropan-2-Yl)-2,3-Dihydro-1-Benzofuran-5-Yl]-5-{[(2r)-2-(2-Hydroxypropan-2-Yl)-2,3-Dihydro-1-Benzofuran-5-Yl]methylidene}furan-2(5h)-One
2(5H)-Furanone, 3-[(2R)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-5-benzofuranyl]-5-[[(2R)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-5-benzofuranyl]methylene]-4-hydroxy-, (5Z)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 686.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 232.7±25.0 °C
Index of Refraction: 1.684
Molar Refractivity: 125.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 42.42
ACD/KOC (pH 5.5): 257.68
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.45
Polar Surface Area: 105 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 70.1±3.0 dyne/cm
Molar Volume: 329.2±3.0 cm3

Click to predict properties on the Chemicalize site


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