(4S)-1,2,4,5-tetrahydroxypentan-3-one

C5H10O5 — CID 54455604

IUPAC(4S)-1,2,4,5-tetrahydroxypentan-3-one
SMILESO=C(C(O)CO)[C@@H](O)CO
InChIInChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3-4,6-9H,1-2H2/t3-,4?/m0/s1
InChIKeyWXYXERHRDKEISL-WUCPZUCCSA-N
MW150.13 g/mol
LogP-2.74
Rot. Bonds4

About (4S)-1,2,4,5-tetrahydroxypentan-3-one

(4S)-1,2,4,5-tetrahydroxypentan-3-one (PubChem CID 54455604) has the molecular formula C5H10O5 and a molecular weight of 150.13 g/mol. Its IUPAC name is (4S)-1,2,4,5-tetrahydroxypentan-3-one.

Molecular Properties

Compound Name(4S)-1,2,4,5-tetrahydroxypentan-3-one
PubChem CID54455604
Molecular FormulaC5H10O5
Molecular Weight150.13 g/mol
Exact Mass150.05
IUPAC Name(4S)-1,2,4,5-tetrahydroxypentan-3-one
SMILESO=C(C(O)CO)[C@@H](O)CO
InChIInChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3-4,6-9H,1-2H2/t3-,4?/m0/s1
InChIKeyWXYXERHRDKEISL-WUCPZUCCSA-N
XLogP-2.74
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 5-2.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-1,2,4,5-tetrahydroxypentan-3-one?
The IUPAC name of (4S)-1,2,4,5-tetrahydroxypentan-3-one (CID 54455604) is (4S)-1,2,4,5-tetrahydroxypentan-3-one.
What is the SMILES notation for (4S)-1,2,4,5-tetrahydroxypentan-3-one?
The canonical SMILES for (4S)-1,2,4,5-tetrahydroxypentan-3-one is O=C(C(O)CO)[C@@H](O)CO.
What is the InChIKey of (4S)-1,2,4,5-tetrahydroxypentan-3-one?
The InChIKey is WXYXERHRDKEISL-WUCPZUCCSA-N. The full InChI is InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3-4,6-9H,1-2H2/t3-,4?/m0/s1.
What are the key properties of (4S)-1,2,4,5-tetrahydroxypentan-3-one?
(4S)-1,2,4,5-tetrahydroxypentan-3-one has a molecular weight of 150.13 g/mol, XLogP of -2.74, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,2,4,5-tetrahydroxypentan-3-one is sourced from PubChem (CID 54455604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).