2-(2,3-dihydroxypyran-2-yl)oxypyran-2,3-diol

C10H10O7 — CID 88619295

IUPAC2-(2,3-dihydroxypyran-2-yl)oxypyran-2,3-diol
SMILESOC1=CC=COC1(O)OC1(O)OC=CC=C1O
InChIInChI=1S/C10H10O7/c11-7-3-1-5-15-9(7,13)17-10(14)8(12)4-2-6-16-10/h1-6,11-14H
InChIKeyOCJOVMANJWEQHU-UHFFFAOYSA-N
MW242.18 g/mol
LogP0.27
Rot. Bonds2

About 2-(2,3-dihydroxypyran-2-yl)oxypyran-2,3-diol

2-(2,3-dihydroxypyran-2-yl)oxypyran-2,3-diol (PubChem CID 88619295) has the molecular formula C10H10O7 and a molecular weight of 242.18 g/mol. Its IUPAC name is 2-(2,3-dihydroxypyran-2-yl)oxypyran-2,3-diol.

Molecular Properties

Compound Name2-(2,3-dihydroxypyran-2-yl)oxypyran-2,3-diol
PubChem CID88619295
Molecular FormulaC10H10O7
Molecular Weight242.18 g/mol
Exact Mass242.04
IUPAC Name2-(2,3-dihydroxypyran-2-yl)oxypyran-2,3-diol
SMILESOC1=CC=COC1(O)OC1(O)OC=CC=C1O
InChIInChI=1S/C10H10O7/c11-7-3-1-5-15-9(7,13)17-10(14)8(12)4-2-6-16-10/h1-6,11-14H
InChIKeyOCJOVMANJWEQHU-UHFFFAOYSA-N
XLogP0.27
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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 2-(2,3-dihydroxypyran-2-yl)oxypyran-2,3-diol?
The IUPAC name of 2-(2,3-dihydroxypyran-2-yl)oxypyran-2,3-diol (CID 88619295) is 2-(2,3-dihydroxypyran-2-yl)oxypyran-2,3-diol.
What is the SMILES notation for 2-(2,3-dihydroxypyran-2-yl)oxypyran-2,3-diol?
The canonical SMILES for 2-(2,3-dihydroxypyran-2-yl)oxypyran-2,3-diol is OC1=CC=COC1(O)OC1(O)OC=CC=C1O.
What is the InChIKey of 2-(2,3-dihydroxypyran-2-yl)oxypyran-2,3-diol?
The InChIKey is OCJOVMANJWEQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O7/c11-7-3-1-5-15-9(7,13)17-10(14)8(12)4-2-6-16-10/h1-6,11-14H.
What are the key properties of 2-(2,3-dihydroxypyran-2-yl)oxypyran-2,3-diol?
2-(2,3-dihydroxypyran-2-yl)oxypyran-2,3-diol has a molecular weight of 242.18 g/mol, XLogP of 0.27, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypyran-2-yl)oxypyran-2,3-diol is sourced from PubChem (CID 88619295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).