(2S,4R)-2,4-dihydroxypentan-3-one

C5H10O3 — CID 93497512

IUPAC(2S,4R)-2,4-dihydroxypentan-3-one
SMILESC[C@H](O)C(=O)[C@@H](C)O
InChIInChI=1S/C5H10O3/c1-3(6)5(8)4(2)7/h3-4,6-7H,1-2H3/t3-,4+
InChIKeyMFYDWPYKWOVTBO-ZXZARUISSA-N
MW118.13 g/mol
LogP-0.68
Rot. Bonds2

About (2S,4R)-2,4-dihydroxypentan-3-one

(2S,4R)-2,4-dihydroxypentan-3-one (PubChem CID 93497512) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is (2S,4R)-2,4-dihydroxypentan-3-one.

Molecular Properties

Compound Name(2S,4R)-2,4-dihydroxypentan-3-one
PubChem CID93497512
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name(2S,4R)-2,4-dihydroxypentan-3-one
SMILESC[C@H](O)C(=O)[C@@H](C)O
InChIInChI=1S/C5H10O3/c1-3(6)5(8)4(2)7/h3-4,6-7H,1-2H3/t3-,4+
InChIKeyMFYDWPYKWOVTBO-ZXZARUISSA-N
XLogP-0.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2,4-dihydroxypentan-3-one?
The IUPAC name of (2S,4R)-2,4-dihydroxypentan-3-one (CID 93497512) is (2S,4R)-2,4-dihydroxypentan-3-one.
What is the SMILES notation for (2S,4R)-2,4-dihydroxypentan-3-one?
The canonical SMILES for (2S,4R)-2,4-dihydroxypentan-3-one is C[C@H](O)C(=O)[C@@H](C)O.
What is the InChIKey of (2S,4R)-2,4-dihydroxypentan-3-one?
The InChIKey is MFYDWPYKWOVTBO-ZXZARUISSA-N. The full InChI is InChI=1S/C5H10O3/c1-3(6)5(8)4(2)7/h3-4,6-7H,1-2H3/t3-,4+.
What are the key properties of (2S,4R)-2,4-dihydroxypentan-3-one?
(2S,4R)-2,4-dihydroxypentan-3-one has a molecular weight of 118.13 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2,4-dihydroxypentan-3-one is sourced from PubChem (CID 93497512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).