(2R,4S,5R)-2-aminooxy-4,5,6-trihydroxyhexanal

C6H13NO5 — CID 88657763

IUPAC(2R,4S,5R)-2-aminooxy-4,5,6-trihydroxyhexanal
SMILESNO[C@@H](C=O)C[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H13NO5/c7-12-4(2-8)1-5(10)6(11)3-9/h2,4-6,9-11H,1,3,7H2/t4-,5+,6-/m1/s1
InChIKeyJPOFTPZIYJYPSO-NGJCXOISSA-N
MW179.17 g/mol
LogP-2.45
Rot. Bonds6

About (2R,4S,5R)-2-aminooxy-4,5,6-trihydroxyhexanal

(2R,4S,5R)-2-aminooxy-4,5,6-trihydroxyhexanal (PubChem CID 88657763) has the molecular formula C6H13NO5 and a molecular weight of 179.17 g/mol. Its IUPAC name is (2R,4S,5R)-2-aminooxy-4,5,6-trihydroxyhexanal.

Molecular Properties

Compound Name(2R,4S,5R)-2-aminooxy-4,5,6-trihydroxyhexanal
PubChem CID88657763
Molecular FormulaC6H13NO5
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name(2R,4S,5R)-2-aminooxy-4,5,6-trihydroxyhexanal
SMILESNO[C@@H](C=O)C[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H13NO5/c7-12-4(2-8)1-5(10)6(11)3-9/h2,4-6,9-11H,1,3,7H2/t4-,5+,6-/m1/s1
InChIKeyJPOFTPZIYJYPSO-NGJCXOISSA-N
XLogP-2.45
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 5-2.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R,4R,5R)-4,5,6-trihydroxy-1-oxohexan-2-yl] hypoiodite
CID 88710909
(2R,4R,5S)-2-aminooxy-4,5-dihydroxyhexanal
CID 135370570
(3S,4R)-3,4,5-trihydroxypentanal;3,4,5-trihydroxypentanal
CID 155345176
(3S,4S)-3,4,5-trihydroxypentanal
CID 6994526
(2R,3S,5R)-2-aminooxy-3,5,6-trihydroxyhexanal
CID 87767587
aminophosphonic acid;3,4,5-trihydroxypentanal
CID 174567832
(2R,3R)-4-sulfanyloxybutane-1,2,3-triol
CID 88547398
3-prop-2-enoxyprop-1-ene;3,4,5-trihydroxypentanal
CID 175306562
(2S,3R)-2,3,4-trihydroxy(113C)butanal
CID 131883807
pentakis((2S,3R)-butane-1,2,3,4-tetrol);bis((Z)-but-2-enedioic acid)
CID 157481940
(2S,3R)-2,3,4-trihydroxybutanal;pentahydrate
CID 140967794
(2R,3R,5R)-hexane-1,2,3,5,6-pentol
CID 6451627

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-2-aminooxy-4,5,6-trihydroxyhexanal?
The IUPAC name of (2R,4S,5R)-2-aminooxy-4,5,6-trihydroxyhexanal (CID 88657763) is (2R,4S,5R)-2-aminooxy-4,5,6-trihydroxyhexanal.
What is the SMILES notation for (2R,4S,5R)-2-aminooxy-4,5,6-trihydroxyhexanal?
The canonical SMILES for (2R,4S,5R)-2-aminooxy-4,5,6-trihydroxyhexanal is NO[C@@H](C=O)C[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,4S,5R)-2-aminooxy-4,5,6-trihydroxyhexanal?
The InChIKey is JPOFTPZIYJYPSO-NGJCXOISSA-N. The full InChI is InChI=1S/C6H13NO5/c7-12-4(2-8)1-5(10)6(11)3-9/h2,4-6,9-11H,1,3,7H2/t4-,5+,6-/m1/s1.
What are the key properties of (2R,4S,5R)-2-aminooxy-4,5,6-trihydroxyhexanal?
(2R,4S,5R)-2-aminooxy-4,5,6-trihydroxyhexanal has a molecular weight of 179.17 g/mol, XLogP of -2.45, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-2-aminooxy-4,5,6-trihydroxyhexanal is sourced from PubChem (CID 88657763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).