2H-pyran-3,4,5-triol

C5H6O4 — CID 19689120

IUPAC2H-pyran-3,4,5-triol
SMILESOC1=COCC(O)=C1O
InChIInChI=1S/C5H6O4/c6-3-1-9-2-4(7)5(3)8/h1,6-8H,2H2
InChIKeyWVBZJYPLDKJFPH-UHFFFAOYSA-N
MW130.10 g/mol
LogP0.74
Rot. Bonds

About 2H-pyran-3,4,5-triol

2H-pyran-3,4,5-triol (PubChem CID 19689120) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is 2H-pyran-3,4,5-triol.

Molecular Properties

Compound Name2H-pyran-3,4,5-triol
PubChem CID19689120
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name2H-pyran-3,4,5-triol
SMILESOC1=COCC(O)=C1O
InChIInChI=1S/C5H6O4/c6-3-1-9-2-4(7)5(3)8/h1,6-8H,2H2
InChIKeyWVBZJYPLDKJFPH-UHFFFAOYSA-N
XLogP0.74
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2H-pyran-3,4,5-triol?
The IUPAC name of 2H-pyran-3,4,5-triol (CID 19689120) is 2H-pyran-3,4,5-triol.
What is the SMILES notation for 2H-pyran-3,4,5-triol?
The canonical SMILES for 2H-pyran-3,4,5-triol is OC1=COCC(O)=C1O.
What is the InChIKey of 2H-pyran-3,4,5-triol?
The InChIKey is WVBZJYPLDKJFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4/c6-3-1-9-2-4(7)5(3)8/h1,6-8H,2H2.
What are the key properties of 2H-pyran-3,4,5-triol?
2H-pyran-3,4,5-triol has a molecular weight of 130.10 g/mol, XLogP of 0.74, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-3,4,5-triol is sourced from PubChem (CID 19689120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).