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

C5H10O5 — CID 102208371

IUPAC(4S)-3,3,4,5-tetrahydroxypentan-2-one
SMILESCC(=O)C(O)(O)[C@@H](O)CO
InChIInChI=1S/C5H10O5/c1-3(7)5(9,10)4(8)2-6/h4,6,8-10H,2H2,1H3/t4-/m0/s1
InChIKeySGOGCNXKVBHRLS-BYPYZUCNSA-N
MW150.13 g/mol
LogP-2.39
Rot. Bonds3

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

(4S)-3,3,4,5-tetrahydroxypentan-2-one (PubChem CID 102208371) has the molecular formula C5H10O5 and a molecular weight of 150.13 g/mol. Its IUPAC name is (4S)-3,3,4,5-tetrahydroxypentan-2-one.

Molecular Properties

Compound Name(4S)-3,3,4,5-tetrahydroxypentan-2-one
PubChem CID102208371
Molecular FormulaC5H10O5
Molecular Weight150.13 g/mol
Exact Mass150.05
IUPAC Name(4S)-3,3,4,5-tetrahydroxypentan-2-one
SMILESCC(=O)C(O)(O)[C@@H](O)CO
InChIInChI=1S/C5H10O5/c1-3(7)5(9,10)4(8)2-6/h4,6,8-10H,2H2,1H3/t4-/m0/s1
InChIKeySGOGCNXKVBHRLS-BYPYZUCNSA-N
XLogP-2.39
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 5-2.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(1,2-dihydroxyethyl)-3-hydroxynonadecan-2-one
CID 54421569
(3R,4R,5R)-2,2,3,4-tetraacetyl-3,4,5,6-tetrahydroxyhexanoyl fluoride
CID 140529207
(2,3,4-trihydroxy-1-oxobutan-2-yl) acetate
CID 141132329
3,4,5,6-tetrahydroxy-3,4-dimethyl-2-oxohexanoic acid
CID 88906798
15-(1,2-dihydroxyethyl)-15-hydroxyhentriacontane-14,16-dione
CID 54078190
18-[(1S)-1,2-dihydroxyethyl]-18-hydroxypentatriacontane-17,19-dione
CID 90718850
13-[(1S)-1,2-dihydroxyethyl]-13-hydroxypentacosane-12,14-dione
CID 90924429
9-[(1S)-1,2-dihydroxyethyl]-9-hydroxyheptadecane-8,10-dione
CID 22880298
[(2S,3S,4S)-3,4-diacetyl-1,2,3-trihydroxy-5,6-dioxoheptan-4-yl] acetate
CID 87996442
[(2R,3R,4S)-3,4-diacetyl-1,2,3-trihydroxy-5,6-dioxoheptan-4-yl] acetate
CID 87243073
2,2-diacetyl-3-oxobutanoic acid;propane-1,2,3-triol
CID 158102004
4-methylpentane-1,2,3,3-tetrol
CID 139934593

Frequently Asked Questions

What is the IUPAC name of (4S)-3,3,4,5-tetrahydroxypentan-2-one?
The IUPAC name of (4S)-3,3,4,5-tetrahydroxypentan-2-one (CID 102208371) is (4S)-3,3,4,5-tetrahydroxypentan-2-one.
What is the SMILES notation for (4S)-3,3,4,5-tetrahydroxypentan-2-one?
The canonical SMILES for (4S)-3,3,4,5-tetrahydroxypentan-2-one is CC(=O)C(O)(O)[C@@H](O)CO.
What is the InChIKey of (4S)-3,3,4,5-tetrahydroxypentan-2-one?
The InChIKey is SGOGCNXKVBHRLS-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10O5/c1-3(7)5(9,10)4(8)2-6/h4,6,8-10H,2H2,1H3/t4-/m0/s1.
What are the key properties of (4S)-3,3,4,5-tetrahydroxypentan-2-one?
(4S)-3,3,4,5-tetrahydroxypentan-2-one has a molecular weight of 150.13 g/mol, XLogP of -2.39, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3,4,5-tetrahydroxypentan-2-one is sourced from PubChem (CID 102208371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).