2-(hydroxymethyl)oxolane-2,4-diol;1,4,5-trihydroxypentan-2-one

C10H20O8 — CID 171935199

IUPAC2-(hydroxymethyl)oxolane-2,4-diol;1,4,5-trihydroxypentan-2-one
SMILESO=C(CO)CC(O)CO.OCC1(O)CC(O)CO1
InChIInChI=1S/2C5H10O4/c6-3-5(8)1-4(7)2-9-5;6-2-4(8)1-5(9)3-7/h2*4,6-8H,1-3H2
InChIKeyQFRGNHTYZGVGNJ-UHFFFAOYSA-N
MW268.26 g/mol
LogP-3.26
Rot. Bonds5

About 2-(hydroxymethyl)oxolane-2,4-diol;1,4,5-trihydroxypentan-2-one

2-(hydroxymethyl)oxolane-2,4-diol;1,4,5-trihydroxypentan-2-one (PubChem CID 171935199) has the molecular formula C10H20O8 and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-(hydroxymethyl)oxolane-2,4-diol;1,4,5-trihydroxypentan-2-one.

Molecular Properties

Compound Name2-(hydroxymethyl)oxolane-2,4-diol;1,4,5-trihydroxypentan-2-one
PubChem CID171935199
Molecular FormulaC10H20O8
Molecular Weight268.26 g/mol
Exact Mass268.12
IUPAC Name2-(hydroxymethyl)oxolane-2,4-diol;1,4,5-trihydroxypentan-2-one
SMILESO=C(CO)CC(O)CO.OCC1(O)CC(O)CO1
InChIInChI=1S/2C5H10O4/c6-3-5(8)1-4(7)2-9-5;6-2-4(8)1-5(9)3-7/h2*4,6-8H,1-3H2
InChIKeyQFRGNHTYZGVGNJ-UHFFFAOYSA-N
XLogP-3.26
TPSA147.68 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.26
LogP ≤ 5-3.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)oxolane-2,4-diol;1,4,5-trihydroxypentan-2-one?
The IUPAC name of 2-(hydroxymethyl)oxolane-2,4-diol;1,4,5-trihydroxypentan-2-one (CID 171935199) is 2-(hydroxymethyl)oxolane-2,4-diol;1,4,5-trihydroxypentan-2-one.
What is the SMILES notation for 2-(hydroxymethyl)oxolane-2,4-diol;1,4,5-trihydroxypentan-2-one?
The canonical SMILES for 2-(hydroxymethyl)oxolane-2,4-diol;1,4,5-trihydroxypentan-2-one is O=C(CO)CC(O)CO.OCC1(O)CC(O)CO1.
What is the InChIKey of 2-(hydroxymethyl)oxolane-2,4-diol;1,4,5-trihydroxypentan-2-one?
The InChIKey is QFRGNHTYZGVGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10O4/c6-3-5(8)1-4(7)2-9-5;6-2-4(8)1-5(9)3-7/h2*4,6-8H,1-3H2.
What are the key properties of 2-(hydroxymethyl)oxolane-2,4-diol;1,4,5-trihydroxypentan-2-one?
2-(hydroxymethyl)oxolane-2,4-diol;1,4,5-trihydroxypentan-2-one has a molecular weight of 268.26 g/mol, XLogP of -3.26, 5 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)oxolane-2,4-diol;1,4,5-trihydroxypentan-2-one is sourced from PubChem (CID 171935199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).