(4R)-3,3,4-trihydroxyoxan-2-one

C5H8O5 — CID 89299537

IUPAC(4R)-3,3,4-trihydroxyoxan-2-one
SMILESO=C1OCC[C@@H](O)C1(O)O
InChIInChI=1S/C5H8O5/c6-3-1-2-10-4(7)5(3,8)9/h3,6,8-9H,1-2H2/t3-/m1/s1
InChIKeyGZVVTGURHZFLBM-GSVOUGTGSA-N
MW148.11 g/mol
LogP-2.02
Rot. Bonds

About (4R)-3,3,4-trihydroxyoxan-2-one

(4R)-3,3,4-trihydroxyoxan-2-one (PubChem CID 89299537) has the molecular formula C5H8O5 and a molecular weight of 148.11 g/mol. Its IUPAC name is (4R)-3,3,4-trihydroxyoxan-2-one.

Molecular Properties

Compound Name(4R)-3,3,4-trihydroxyoxan-2-one
PubChem CID89299537
Molecular FormulaC5H8O5
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name(4R)-3,3,4-trihydroxyoxan-2-one
SMILESO=C1OCC[C@@H](O)C1(O)O
InChIInChI=1S/C5H8O5/c6-3-1-2-10-4(7)5(3,8)9/h3,6,8-9H,1-2H2/t3-/m1/s1
InChIKeyGZVVTGURHZFLBM-GSVOUGTGSA-N
XLogP-2.02
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
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 (4R)-3,3,4-trihydroxyoxan-2-one?
The IUPAC name of (4R)-3,3,4-trihydroxyoxan-2-one (CID 89299537) is (4R)-3,3,4-trihydroxyoxan-2-one.
What is the SMILES notation for (4R)-3,3,4-trihydroxyoxan-2-one?
The canonical SMILES for (4R)-3,3,4-trihydroxyoxan-2-one is O=C1OCC[C@@H](O)C1(O)O.
What is the InChIKey of (4R)-3,3,4-trihydroxyoxan-2-one?
The InChIKey is GZVVTGURHZFLBM-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H8O5/c6-3-1-2-10-4(7)5(3,8)9/h3,6,8-9H,1-2H2/t3-/m1/s1.
What are the key properties of (4R)-3,3,4-trihydroxyoxan-2-one?
(4R)-3,3,4-trihydroxyoxan-2-one has a molecular weight of 148.11 g/mol, XLogP of -2.02, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,3,4-trihydroxyoxan-2-one is sourced from PubChem (CID 89299537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).