5-(3-hydroxypropylperoxyperoxy)-2H-pyran-2,3,4-triol

C8H12O9 — CID 155667616

IUPAC5-(3-hydroxypropylperoxyperoxy)-2H-pyran-2,3,4-triol
SMILESOCCCOOOOC1=COC(O)C(O)=C1O
InChIInChI=1S/C8H12O9/c9-2-1-3-14-16-17-15-5-4-13-8(12)7(11)6(5)10/h4,8-12H,1-3H2
InChIKeyYPVJOZZFNPLADL-UHFFFAOYSA-N
MW252.17 g/mol
LogP-0.30
Rot. Bonds7

About 5-(3-hydroxypropylperoxyperoxy)-2H-pyran-2,3,4-triol

5-(3-hydroxypropylperoxyperoxy)-2H-pyran-2,3,4-triol (PubChem CID 155667616) has the molecular formula C8H12O9 and a molecular weight of 252.17 g/mol. Its IUPAC name is 5-(3-hydroxypropylperoxyperoxy)-2H-pyran-2,3,4-triol.

Molecular Properties

Compound Name5-(3-hydroxypropylperoxyperoxy)-2H-pyran-2,3,4-triol
PubChem CID155667616
Molecular FormulaC8H12O9
Molecular Weight252.17 g/mol
Exact Mass252.05
IUPAC Name5-(3-hydroxypropylperoxyperoxy)-2H-pyran-2,3,4-triol
SMILESOCCCOOOOC1=COC(O)C(O)=C1O
InChIInChI=1S/C8H12O9/c9-2-1-3-14-16-17-15-5-4-13-8(12)7(11)6(5)10/h4,8-12H,1-3H2
InChIKeyYPVJOZZFNPLADL-UHFFFAOYSA-N
XLogP-0.30
TPSA127.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypropylperoxyperoxy)-2H-pyran-2,3,4-triol?
The IUPAC name of 5-(3-hydroxypropylperoxyperoxy)-2H-pyran-2,3,4-triol (CID 155667616) is 5-(3-hydroxypropylperoxyperoxy)-2H-pyran-2,3,4-triol.
What is the SMILES notation for 5-(3-hydroxypropylperoxyperoxy)-2H-pyran-2,3,4-triol?
The canonical SMILES for 5-(3-hydroxypropylperoxyperoxy)-2H-pyran-2,3,4-triol is OCCCOOOOC1=COC(O)C(O)=C1O.
What is the InChIKey of 5-(3-hydroxypropylperoxyperoxy)-2H-pyran-2,3,4-triol?
The InChIKey is YPVJOZZFNPLADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O9/c9-2-1-3-14-16-17-15-5-4-13-8(12)7(11)6(5)10/h4,8-12H,1-3H2.
What are the key properties of 5-(3-hydroxypropylperoxyperoxy)-2H-pyran-2,3,4-triol?
5-(3-hydroxypropylperoxyperoxy)-2H-pyran-2,3,4-triol has a molecular weight of 252.17 g/mol, XLogP of -0.30, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropylperoxyperoxy)-2H-pyran-2,3,4-triol is sourced from PubChem (CID 155667616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).