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

C5H6O4 — CID 90241131

IUPAC2H-pyran-2,3,4-triol
SMILESOC1=C(O)C(O)OC=C1
InChIInChI=1S/C5H6O4/c6-3-1-2-9-5(8)4(3)7/h1-2,5-8H
InChIKeyDQCINBZXWARKBZ-UHFFFAOYSA-N
MW130.10 g/mol
LogP0.18
Rot. Bonds

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

2H-pyran-2,3,4-triol (PubChem CID 90241131) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is 2H-pyran-2,3,4-triol.

Molecular Properties

Compound Name2H-pyran-2,3,4-triol
PubChem CID90241131
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name2H-pyran-2,3,4-triol
SMILESOC1=C(O)C(O)OC=C1
InChIInChI=1S/C5H6O4/c6-3-1-2-9-5(8)4(3)7/h1-2,5-8H
InChIKeyDQCINBZXWARKBZ-UHFFFAOYSA-N
XLogP0.18
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 ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2H-pyran-2,3,4-triol?
The IUPAC name of 2H-pyran-2,3,4-triol (CID 90241131) is 2H-pyran-2,3,4-triol.
What is the SMILES notation for 2H-pyran-2,3,4-triol?
The canonical SMILES for 2H-pyran-2,3,4-triol is OC1=C(O)C(O)OC=C1.
What is the InChIKey of 2H-pyran-2,3,4-triol?
The InChIKey is DQCINBZXWARKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4/c6-3-1-2-9-5(8)4(3)7/h1-2,5-8H.
What are the key properties of 2H-pyran-2,3,4-triol?
2H-pyran-2,3,4-triol has a molecular weight of 130.10 g/mol, XLogP of 0.18, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-2,3,4-triol is sourced from PubChem (CID 90241131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).