4-hydroxy-2,3,4,5-tetrahydrofuro[3,4-b]pyran-7-one

C7H8O4 — CID 130123700

IUPAC4-hydroxy-2,3,4,5-tetrahydrofuro[3,4-b]pyran-7-one
SMILESO=C1OCC2=C1OCCC2O
InChIInChI=1S/C7H8O4/c8-5-1-2-10-6-4(5)3-11-7(6)9/h5,8H,1-3H2
InChIKeyBGYVQBVWBNIZSA-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.42
Rot. Bonds

About 4-hydroxy-2,3,4,5-tetrahydrofuro[3,4-b]pyran-7-one

4-hydroxy-2,3,4,5-tetrahydrofuro[3,4-b]pyran-7-one (PubChem CID 130123700) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is 4-hydroxy-2,3,4,5-tetrahydrofuro[3,4-b]pyran-7-one.

Molecular Properties

Compound Name4-hydroxy-2,3,4,5-tetrahydrofuro[3,4-b]pyran-7-one
PubChem CID130123700
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name4-hydroxy-2,3,4,5-tetrahydrofuro[3,4-b]pyran-7-one
SMILESO=C1OCC2=C1OCCC2O
InChIInChI=1S/C7H8O4/c8-5-1-2-10-6-4(5)3-11-7(6)9/h5,8H,1-3H2
InChIKeyBGYVQBVWBNIZSA-UHFFFAOYSA-N
XLogP-0.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,3,4,5-tetrahydrofuro[3,4-b]pyran-7-one?
The IUPAC name of 4-hydroxy-2,3,4,5-tetrahydrofuro[3,4-b]pyran-7-one (CID 130123700) is 4-hydroxy-2,3,4,5-tetrahydrofuro[3,4-b]pyran-7-one.
What is the SMILES notation for 4-hydroxy-2,3,4,5-tetrahydrofuro[3,4-b]pyran-7-one?
The canonical SMILES for 4-hydroxy-2,3,4,5-tetrahydrofuro[3,4-b]pyran-7-one is O=C1OCC2=C1OCCC2O.
What is the InChIKey of 4-hydroxy-2,3,4,5-tetrahydrofuro[3,4-b]pyran-7-one?
The InChIKey is BGYVQBVWBNIZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c8-5-1-2-10-6-4(5)3-11-7(6)9/h5,8H,1-3H2.
What are the key properties of 4-hydroxy-2,3,4,5-tetrahydrofuro[3,4-b]pyran-7-one?
4-hydroxy-2,3,4,5-tetrahydrofuro[3,4-b]pyran-7-one has a molecular weight of 156.14 g/mol, XLogP of -0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,3,4,5-tetrahydrofuro[3,4-b]pyran-7-one is sourced from PubChem (CID 130123700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).