3-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-8-ethenyl-10-hydroxy-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-6-one

C17H20O8 — CID 89153278

IUPAC3-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-8-ethenyl-10-hydroxy-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-6-one
SMILESC=CC1=C(C)C(=O)C2(OCC([C@H]3OC(=O)C(O)=C3O)O2)C(O)C1(C)C
InChIInChI=1S/C17H20O8/c1-5-8-7(2)13(20)17(15(22)16(8,3)4)23-6-9(25-17)12-10(18)11(19)14(21)24-12/h5,9,12,15,18-19,22H,1,6H2,2-4H3/t9?,12-,15?,17?/m1/s1
InChIKeyBEYCBROOFJOKBK-DKTJUBMRSA-N
MW352.34 g/mol
LogP0.82
Rot. Bonds2

About 3-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-8-ethenyl-10-hydroxy-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-6-one

3-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-8-ethenyl-10-hydroxy-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-6-one (PubChem CID 89153278) has the molecular formula C17H20O8 and a molecular weight of 352.34 g/mol. Its IUPAC name is 3-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-8-ethenyl-10-hydroxy-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-6-one.

Molecular Properties

Compound Name3-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-8-ethenyl-10-hydroxy-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-6-one
PubChem CID89153278
Molecular FormulaC17H20O8
Molecular Weight352.34 g/mol
Exact Mass352.12
IUPAC Name3-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-8-ethenyl-10-hydroxy-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-6-one
SMILESC=CC1=C(C)C(=O)C2(OCC([C@H]3OC(=O)C(O)=C3O)O2)C(O)C1(C)C
InChIInChI=1S/C17H20O8/c1-5-8-7(2)13(20)17(15(22)16(8,3)4)23-6-9(25-17)12-10(18)11(19)14(21)24-12/h5,9,12,15,18-19,22H,1,6H2,2-4H3/t9?,12-,15?,17?/m1/s1
InChIKeyBEYCBROOFJOKBK-DKTJUBMRSA-N
XLogP0.82
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-8-ethenyl-10-hydroxy-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-8-ethenyl-10-hydroxy-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-6-one?
The IUPAC name of 3-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-8-ethenyl-10-hydroxy-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-6-one (CID 89153278) is 3-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-8-ethenyl-10-hydroxy-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-6-one.
What is the SMILES notation for 3-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-8-ethenyl-10-hydroxy-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-6-one?
The canonical SMILES for 3-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-8-ethenyl-10-hydroxy-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-6-one is C=CC1=C(C)C(=O)C2(OCC([C@H]3OC(=O)C(O)=C3O)O2)C(O)C1(C)C.
What is the InChIKey of 3-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-8-ethenyl-10-hydroxy-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-6-one?
The InChIKey is BEYCBROOFJOKBK-DKTJUBMRSA-N. The full InChI is InChI=1S/C17H20O8/c1-5-8-7(2)13(20)17(15(22)16(8,3)4)23-6-9(25-17)12-10(18)11(19)14(21)24-12/h5,9,12,15,18-19,22H,1,6H2,2-4H3/t9?,12-,15?,17?/m1/s1.
What are the key properties of 3-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-8-ethenyl-10-hydroxy-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-6-one?
3-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-8-ethenyl-10-hydroxy-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-6-one has a molecular weight of 352.34 g/mol, XLogP of 0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-8-ethenyl-10-hydroxy-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-6-one is sourced from PubChem (CID 89153278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).