2-hydroxy-3-(6-hydroxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one

C9H10O5 — CID 10608003

IUPAC2-hydroxy-3-(6-hydroxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one
SMILESO=C1C=C(C2CC=CC(O)O2)C(O)O1
InChIInChI=1S/C9H10O5/c10-7-3-1-2-6(13-7)5-4-8(11)14-9(5)12/h1,3-4,6-7,9-10,12H,2H2
InChIKeyBZLOOKYJEPBSJA-UHFFFAOYSA-N
MW198.17 g/mol
LogP-0.55
Rot. Bonds1

About 2-hydroxy-3-(6-hydroxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one

2-hydroxy-3-(6-hydroxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one (PubChem CID 10608003) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is 2-hydroxy-3-(6-hydroxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one.

Molecular Properties

Compound Name2-hydroxy-3-(6-hydroxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one
PubChem CID10608003
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name2-hydroxy-3-(6-hydroxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one
SMILESO=C1C=C(C2CC=CC(O)O2)C(O)O1
InChIInChI=1S/C9H10O5/c10-7-3-1-2-6(13-7)5-4-8(11)14-9(5)12/h1,3-4,6-7,9-10,12H,2H2
InChIKeyBZLOOKYJEPBSJA-UHFFFAOYSA-N
XLogP-0.55
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-3-[6-hydroxy-5-[(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one
CID 10363757
(2S)-2-hydroxy-3-[(2R,6R)-6-hydroxy-5-[(E)-4-methyl-6-(2,2,6-trimethylcyclohexyl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one
CID 71595571
(2R,6R)-2-(chloromethyl)-3,6-dihydro-2H-pyran-6-ol
CID 55298588
(2R)-3-[(2R)-5-[2-[(1S,2S,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-2H-furan-5-one
CID 23243376
(4R,7R)-4,7-dihydroxy-4,5,7,7a-tetrahydrofuro[2,3-c]pyran-2-one
CID 138756296
(4S,7S)-7-hydroxy-4-methoxy-4,6,7,7a-tetrahydro(4,5-13C2)furano[3,2-c](213C)pyran-2-one
CID 171379864
(2R)-3-[(2S)-5-[2-[(1aR,4aS,5R,6R,8aR)-1a,5,6-trimethyl-1,2,3,4,4a,6,7,8-octahydrocyclopropa[e]naphthalen-5-yl]ethyl]-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-2H-furan-5-one
CID 162865110
(2S)-2-hydroxy-2H-furan-5-one
CID 11073352
(2R)-2-hydroxy-3-phenyl-2H-furan-5-one
CID 163035429
3-(2-dodecyl-2-oxo-1,2λ5-oxaphosphiran-3-yl)-2-hydroxy-2H-furan-5-one
CID 54119752
(4S,5R,7aR)-4,7-dihydroxy-5-(hydroxymethyl)-4,5,7,7a-tetrahydrofuro[2,3-c]pyran-2-one
CID 25189298
(1S,2S,4R,10R,11S,15S)-11-hydroxy-4-[(2S)-2-hydroxy-5-oxo-2H-furan-3-yl]-2,10-dimethyl-5,13-dioxatetracyclo[8.6.0.02,7.011,15]hexadec-7-ene-6,12-dione
CID 155512126

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(6-hydroxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one?
The IUPAC name of 2-hydroxy-3-(6-hydroxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one (CID 10608003) is 2-hydroxy-3-(6-hydroxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one.
What is the SMILES notation for 2-hydroxy-3-(6-hydroxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one?
The canonical SMILES for 2-hydroxy-3-(6-hydroxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one is O=C1C=C(C2CC=CC(O)O2)C(O)O1.
What is the InChIKey of 2-hydroxy-3-(6-hydroxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one?
The InChIKey is BZLOOKYJEPBSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5/c10-7-3-1-2-6(13-7)5-4-8(11)14-9(5)12/h1,3-4,6-7,9-10,12H,2H2.
What are the key properties of 2-hydroxy-3-(6-hydroxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one?
2-hydroxy-3-(6-hydroxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one has a molecular weight of 198.17 g/mol, XLogP of -0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(6-hydroxy-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one is sourced from PubChem (CID 10608003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).