[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 4-oxopentanoate;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)-2H-furan-5-one;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;4-[2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethoxy]-4-oxobutanoic acid;bis([2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethyl] 4-oxopentanoate)

C117H126O45 — CID 161041692

About [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 4-oxopentanoate;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)-2H-furan-5-one;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;4-[2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethoxy]-4-oxobutanoic acid;bis([2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethyl] 4-oxopentanoate)

[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 4-oxopentanoate;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)-2H-furan-5-one;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;4-[2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethoxy]-4-oxobutanoic acid;bis([2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethyl] 4-oxopentanoate) (PubChem CID 161041692) has the molecular formula C117H126O45 and a molecular weight of 2252.25 g/mol. Its IUPAC name is [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 4-oxopentanoate;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)-2H-furan-5-one;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;4-[2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethoxy]-4-oxobutanoic acid;bis([2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethyl] 4-oxopentanoate).

Molecular Properties

• Compound Name: [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 4-oxopentanoate;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)-2H-furan-5-one;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;4-[2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethoxy]-4-oxobutanoic acid;bis([2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethyl] 4-oxopentanoate)
• PubChem CID: 161041692
• Molecular Formula: C117H126O45
• Molecular Weight: 2252.25 g/mol
• Exact Mass: 2250.76
• IUPAC Name: [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 4-oxopentanoate;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)-2H-furan-5-one;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;4-[2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethoxy]-4-oxobutanoic acid;bis([2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethyl] 4-oxopentanoate)
• SMILES: CC(=O)CCC(=O)OCC(O)C1OC(=O)C(O)=C1O.CC(=O)CCC(=O)OCC(O)C1OC(=O)C(OCc2ccccc2)=C1OCc1ccccc1.CC(=O)CCC(=O)OCC(O)C1OC(=O)C(OCc2ccccc2)=C1OCc1ccccc1.CC1(C)OCC(C2OC(=O)C(O)=C2O)O1.CC1(C)OCC(C2OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)O1.O=C(O)CCC(=O)OCC(O)C1OC(=O)C(OCc2ccccc2)=C1OCc1ccccc1
• InChI: InChI=1S/2C25H26O8.C24H24O9.C23H24O6.C11H14O8.C9H12O6/c2*1-17(26)12-13-21(28)30-16-20(27)22-23(31-14-18-8-4-2-5-9-18)24(25(29)33-22)32-15-19-10-6-3-7-11-19;25-18(15-30-20(28)12-11-19(26)27)21-22(31-13-16-7-3-1-4-8-16)23(24(29)33-21)32-14-17-9-5-2-6-10-17;1-23(2)27-15-18(29-23)19-20(25-13-16-9-5-3-6-10-16)21(22(24)28-19)26-14-17-11-7-4-8-12-17;1-5(12)2-3-7(14)18-4-6(13)10-8(15)9(16)11(17)19-10;1-9(2)13-3-4(15-9)7-5(10)6(11)8(12)14-7/h2*2-11,20,22,27H,12-16H2,1H3;1-10,18,21,25H,11-15H2,(H,26,27);3-12,18-19H,13-15H2,1-2H3;6,10,13,15-16H,2-4H2,1H3;4,7,10-11H,3H2,1-2H3
• InChIKey: UAYRZDUMFABVFN-UHFFFAOYSA-N
• XLogP: 11.60
• TPSA: 624.11 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 44
• Rotatable Bonds: 50
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2252.25
LogP ≤ 5	11.60
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 4-oxopentanoate;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)-2H-furan-5-one;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;4-[2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethoxy]-4-oxobutanoic acid;bis([2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethyl] 4-oxopentanoate)?

The IUPAC name of [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 4-oxopentanoate;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)-2H-furan-5-one;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;4-[2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethoxy]-4-oxobutanoic acid;bis([2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethyl] 4-oxopentanoate) (CID 161041692) is [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 4-oxopentanoate;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)-2H-furan-5-one;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;4-[2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethoxy]-4-oxobutanoic acid;bis([2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethyl] 4-oxopentanoate).

What is the SMILES notation for [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 4-oxopentanoate;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)-2H-furan-5-one;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;4-[2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethoxy]-4-oxobutanoic acid;bis([2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethyl] 4-oxopentanoate)?

The canonical SMILES for [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 4-oxopentanoate;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)-2H-furan-5-one;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;4-[2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethoxy]-4-oxobutanoic acid;bis([2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethyl] 4-oxopentanoate) is CC(=O)CCC(=O)OCC(O)C1OC(=O)C(O)=C1O.CC(=O)CCC(=O)OCC(O)C1OC(=O)C(OCc2ccccc2)=C1OCc1ccccc1.CC(=O)CCC(=O)OCC(O)C1OC(=O)C(OCc2ccccc2)=C1OCc1ccccc1.CC1(C)OCC(C2OC(=O)C(O)=C2O)O1.CC1(C)OCC(C2OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)O1.O=C(O)CCC(=O)OCC(O)C1OC(=O)C(OCc2ccccc2)=C1OCc1ccccc1.

What is the InChIKey of [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 4-oxopentanoate;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)-2H-furan-5-one;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;4-[2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethoxy]-4-oxobutanoic acid;bis([2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethyl] 4-oxopentanoate)?

The InChIKey is UAYRZDUMFABVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H26O8.C24H24O9.C23H24O6.C11H14O8.C9H12O6/c2*1-17(26)12-13-21(28)30-16-20(27)22-23(31-14-18-8-4-2-5-9-18)24(25(29)33-22)32-15-19-10-6-3-7-11-19;25-18(15-30-20(28)12-11-19(26)27)21-22(31-13-16-7-3-1-4-8-16)23(24(29)33-21)32-14-17-9-5-2-6-10-17;1-23(2)27-15-18(29-23)19-20(25-13-16-9-5-3-6-10-16)21(22(24)28-19)26-14-17-11-7-4-8-12-17;1-5(12)2-3-7(14)18-4-6(13)10-8(15)9(16)11(17)19-10;1-9(2)13-3-4(15-9)7-5(10)6(11)8(12)14-7/h2*2-11,20,22,27H,12-16H2,1H3;1-10,18,21,25H,11-15H2,(H,26,27);3-12,18-19H,13-15H2,1-2H3;6,10,13,15-16H,2-4H2,1H3;4,7,10-11H,3H2,1-2H3.

What are the key properties of [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 4-oxopentanoate;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)-2H-furan-5-one;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;4-[2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethoxy]-4-oxobutanoic acid;bis([2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethyl] 4-oxopentanoate)?

[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 4-oxopentanoate;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)-2H-furan-5-one;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;4-[2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethoxy]-4-oxobutanoic acid;bis([2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethyl] 4-oxopentanoate) has a molecular weight of 2252.25 g/mol, XLogP of 11.60, 50 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 4-oxopentanoate;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-bis(phenylmethoxy)-2H-furan-5-one;2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;4-[2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethoxy]-4-oxobutanoic acid;bis([2-hydroxy-2-[5-oxo-3,4-bis(phenylmethoxy)-2H-furan-2-yl]ethyl] 4-oxopentanoate) is sourced from PubChem (CID 161041692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).