pyran-2,2,3,4-tetrol

C5H6O5 — CID 21181997

IUPACpyran-2,2,3,4-tetrol
SMILESOC1=C(O)C(O)(O)OC=C1
InChIInChI=1S/C5H6O5/c6-3-1-2-10-5(8,9)4(3)7/h1-2,6-9H
InChIKeyYPINBHVKWRYHLU-UHFFFAOYSA-N
MW146.10 g/mol
LogP-0.50
Rot. Bonds

About pyran-2,2,3,4-tetrol

pyran-2,2,3,4-tetrol (PubChem CID 21181997) has the molecular formula C5H6O5 and a molecular weight of 146.10 g/mol. Its IUPAC name is pyran-2,2,3,4-tetrol.

Molecular Properties

Compound Namepyran-2,2,3,4-tetrol
PubChem CID21181997
Molecular FormulaC5H6O5
Molecular Weight146.10 g/mol
Exact Mass146.02
IUPAC Namepyran-2,2,3,4-tetrol
SMILESOC1=C(O)C(O)(O)OC=C1
InChIInChI=1S/C5H6O5/c6-3-1-2-10-5(8,9)4(3)7/h1-2,6-9H
InChIKeyYPINBHVKWRYHLU-UHFFFAOYSA-N
XLogP-0.50
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyran-2,2,3,4-tetrol?
The IUPAC name of pyran-2,2,3,4-tetrol (CID 21181997) is pyran-2,2,3,4-tetrol.
What is the SMILES notation for pyran-2,2,3,4-tetrol?
The canonical SMILES for pyran-2,2,3,4-tetrol is OC1=C(O)C(O)(O)OC=C1.
What is the InChIKey of pyran-2,2,3,4-tetrol?
The InChIKey is YPINBHVKWRYHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O5/c6-3-1-2-10-5(8,9)4(3)7/h1-2,6-9H.
What are the key properties of pyran-2,2,3,4-tetrol?
pyran-2,2,3,4-tetrol has a molecular weight of 146.10 g/mol, XLogP of -0.50, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyran-2,2,3,4-tetrol is sourced from PubChem (CID 21181997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).