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

C5H10O5 — CID 644111

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

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

(3S,4S)-1,3,4,5-tetrahydroxypentan-2-one (PubChem CID 644111) has the molecular formula C5H10O5 and a molecular weight of 150.13 g/mol. Its IUPAC name is (3S,4S)-1,3,4,5-tetrahydroxypentan-2-one.

Molecular Properties

Compound Name(3S,4S)-1,3,4,5-tetrahydroxypentan-2-one
PubChem CID644111
Molecular FormulaC5H10O5
Molecular Weight150.13 g/mol
Exact Mass150.05
IUPAC Name(3S,4S)-1,3,4,5-tetrahydroxypentan-2-one
SMILESO=C(CO)[C@@H](O)[C@@H](O)CO
InChIInChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m0/s1
InChIKeyZAQJHHRNXZUBTE-UCORVYFPSA-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 (3S,4S)-1,3,4,5-tetrahydroxypentan-2-one?
The IUPAC name of (3S,4S)-1,3,4,5-tetrahydroxypentan-2-one (CID 644111) is (3S,4S)-1,3,4,5-tetrahydroxypentan-2-one.
What is the SMILES notation for (3S,4S)-1,3,4,5-tetrahydroxypentan-2-one?
The canonical SMILES for (3S,4S)-1,3,4,5-tetrahydroxypentan-2-one is O=C(CO)[C@@H](O)[C@@H](O)CO.
What is the InChIKey of (3S,4S)-1,3,4,5-tetrahydroxypentan-2-one?
The InChIKey is ZAQJHHRNXZUBTE-UCORVYFPSA-N. The full InChI is InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m0/s1.
What are the key properties of (3S,4S)-1,3,4,5-tetrahydroxypentan-2-one?
(3S,4S)-1,3,4,5-tetrahydroxypentan-2-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 (3S,4S)-1,3,4,5-tetrahydroxypentan-2-one is sourced from PubChem (CID 644111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).