(2R,4S)-1,2,4-trihydroxy-5-(hydroxyamino)pentan-3-one

C5H11NO5 — CID 123362712

IUPAC(2R,4S)-1,2,4-trihydroxy-5-(hydroxyamino)pentan-3-one
SMILESO=C([C@H](O)CO)[C@@H](O)CNO
InChIInChI=1S/C5H11NO5/c7-2-4(9)5(10)3(8)1-6-11/h3-4,6-9,11H,1-2H2/t3-,4+/m0/s1
InChIKeyDZJCICDUSGRJMG-IUYQGCFVSA-N
MW165.14 g/mol
LogP-2.75
Rot. Bonds5

About (2R,4S)-1,2,4-trihydroxy-5-(hydroxyamino)pentan-3-one

(2R,4S)-1,2,4-trihydroxy-5-(hydroxyamino)pentan-3-one (PubChem CID 123362712) has the molecular formula C5H11NO5 and a molecular weight of 165.14 g/mol. Its IUPAC name is (2R,4S)-1,2,4-trihydroxy-5-(hydroxyamino)pentan-3-one.

Molecular Properties

Compound Name(2R,4S)-1,2,4-trihydroxy-5-(hydroxyamino)pentan-3-one
PubChem CID123362712
Molecular FormulaC5H11NO5
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name(2R,4S)-1,2,4-trihydroxy-5-(hydroxyamino)pentan-3-one
SMILESO=C([C@H](O)CO)[C@@H](O)CNO
InChIInChI=1S/C5H11NO5/c7-2-4(9)5(10)3(8)1-6-11/h3-4,6-9,11H,1-2H2/t3-,4+/m0/s1
InChIKeyDZJCICDUSGRJMG-IUYQGCFVSA-N
XLogP-2.75
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 5-2.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1,2,4-trihydroxy-5-(hydroxyamino)pentan-3-one?
The IUPAC name of (2R,4S)-1,2,4-trihydroxy-5-(hydroxyamino)pentan-3-one (CID 123362712) is (2R,4S)-1,2,4-trihydroxy-5-(hydroxyamino)pentan-3-one.
What is the SMILES notation for (2R,4S)-1,2,4-trihydroxy-5-(hydroxyamino)pentan-3-one?
The canonical SMILES for (2R,4S)-1,2,4-trihydroxy-5-(hydroxyamino)pentan-3-one is O=C([C@H](O)CO)[C@@H](O)CNO.
What is the InChIKey of (2R,4S)-1,2,4-trihydroxy-5-(hydroxyamino)pentan-3-one?
The InChIKey is DZJCICDUSGRJMG-IUYQGCFVSA-N. The full InChI is InChI=1S/C5H11NO5/c7-2-4(9)5(10)3(8)1-6-11/h3-4,6-9,11H,1-2H2/t3-,4+/m0/s1.
What are the key properties of (2R,4S)-1,2,4-trihydroxy-5-(hydroxyamino)pentan-3-one?
(2R,4S)-1,2,4-trihydroxy-5-(hydroxyamino)pentan-3-one has a molecular weight of 165.14 g/mol, XLogP of -2.75, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1,2,4-trihydroxy-5-(hydroxyamino)pentan-3-one is sourced from PubChem (CID 123362712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).