Found 1 result

Search term: CPJNTZBFGMGXON (Found by InChIKey (skeleton match))

ChemSpider 2D Image | [(2R,2'R,3R,4'R,4a'S,5S,5'R,6'R,8a'R)-5-(3-Furyl)-2,4'-dihydroxy-2',4a',5',8a'-tetrakis(hydroxymethyl)-6'-{[(2E)-2-methyl-2-butenoyl]oxy}decahydro-2'H-spiro[furan-3,1'-naphthalen]-5'-yl]acetic acid | C28H40O12

[(2R,2'R,3R,4'R,4a'S,5S,5'R,6'R,8a'R)-5-(3-Furyl)-2,4'-dihydroxy-2',4a',5',8a'-tetrakis(hydroxymethyl)-6'-{[(2E)-2-methyl-2-butenoyl]oxy}decahydro-2'H-spiro[furan-3,1'-naphthalen]-5'-yl]acetic acid

  • Molecular FormulaC28H40O12
  • Average mass568.610 Da
  • Monoisotopic mass568.251953 Da
  • ChemSpider ID30777288
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres


More details:






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

[(2R,2'R,3R,4'R,4a'S,5S,5'R,6'R,8a'R)-5-(3-Furyl)-2,4'-dihydroxy-2',4a',5',8a'-tetrakis(hydroxymethyl)-6'-{[(2E)-2-methyl-2-butenoyl]oxy}decahydro-2'H-spiro[furan-3,1'-naphthalen]-5'-yl]acetic acid [ACD/IUPAC Name]
[(2R,2'R,3R,4'R,4a'S,5S,5'R,6'R,8a'R)-5-(3-Furyl)-2,4'-dihydroxy-2',4a',5',8a'-tetrakis(hydroxymethyl)-6'-{[(2E)-2-methyl-2-butenoyl]oxy}decahydro-2'H-spiro[furan-3,1'-naphthalen]-5'-yl]essigsäure [German] [ACD/IUPAC Name]
Acide [(2R,2'R,3R,4'R,4a'S,5S,5'R,6'R,8a'R)-5-(3-furyl)-2,4'-dihydroxy-2',4a',5',8a'-tétrakis(hydroxyméthyl)-6'-{[(2E)-2-méthyl-2-butenoyl]oxy}décahydro-2'H-spiro[furan-3,1'-naphthalen]-5'-yl]acétique [French] [ACD/IUPAC Name]
Spiro[furan-3(2H),1'(2'H)-naphthalene]-5'-acetic acid, 5-(3-furanyl)decahydro-2,4'-dihydroxy-2',4'a,5',8'a-tetrakis(hydroxymethyl)-6'-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-, (2R,2'R,3R,4'R,4'aS,5S,5 'R,6'R,8'aR)- [ACD/Index Name]
(1R,2R,2'R,4R,4aS,5R,5'S,6R,8aR)-5'-(furan-3-yl)-2',4-dihydroxy-2,4a,5,8a-tetrakis(hydroxymethyl)-6-{[(2E)-2-methylbut-2-enoyl]oxy}-hexahydrospiro[naphthalene-1,3'-oxolane]-5-ylacetic acid
143183-60-2 [RN]
2-[(1R,2R,2'R,4R,4aS,5R,5'S,6R,8aR)-5'-(furan-3-yl)-2',4-dihydroxy-2,4a,5,8a-tetrakis(hydroxymethyl)-6-{[(2E)-2-methylbut-2-enoyl]oxy}-octahydro-2H-spiro[naphthalene-1,3'-oxolane]-5-yl]acetic acid
3-(1,3-dioxobutyl)oxazolidin-2-one
3-Acetoacetyl-1,3-oxazolidin-2-one
Musabalbisiane C

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 804.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.6±3.0 kJ/mol
Flash Point: 440.2±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 138.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -1.14
ACD/LogD (pH 5.5): -1.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.48
ACD/LogD (pH 7.4): -3.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 207 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 77.4±5.0 dyne/cm
Molar Volume: 391.5±5.0 cm3

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