(2R,4R,5S)-2-aminooxy-4,5-dihydroxyhexanal

C6H13NO4 — CID 135370570

IUPAC(2R,4R,5S)-2-aminooxy-4,5-dihydroxyhexanal
SMILESC[C@H](O)[C@H](O)C[C@H](C=O)ON
InChIInChI=1S/C6H13NO4/c1-4(9)6(10)2-5(3-8)11-7/h3-6,9-10H,2,7H2,1H3/t4-,5+,6+/m0/s1
InChIKeyFAGYLXKEULRXQH-KVQBGUIXSA-N
MW163.17 g/mol
LogP-1.42
Rot. Bonds5

About (2R,4R,5S)-2-aminooxy-4,5-dihydroxyhexanal

(2R,4R,5S)-2-aminooxy-4,5-dihydroxyhexanal (PubChem CID 135370570) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is (2R,4R,5S)-2-aminooxy-4,5-dihydroxyhexanal.

Molecular Properties

Compound Name(2R,4R,5S)-2-aminooxy-4,5-dihydroxyhexanal
PubChem CID135370570
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name(2R,4R,5S)-2-aminooxy-4,5-dihydroxyhexanal
SMILESC[C@H](O)[C@H](O)C[C@H](C=O)ON
InChIInChI=1S/C6H13NO4/c1-4(9)6(10)2-5(3-8)11-7/h3-6,9-10H,2,7H2,1H3/t4-,5+,6+/m0/s1
InChIKeyFAGYLXKEULRXQH-KVQBGUIXSA-N
XLogP-1.42
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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,4S,5R)-2-aminooxy-4,5,6-trihydroxyhexanal
CID 88657763
[(2R,4R,5R)-4,5,6-trihydroxy-1-oxohexan-2-yl] hypoiodite
CID 88710909
(2R,3S,4R,5R)-2,3-diaminooxy-4,5-dihydroxyhexanal
CID 87361841
(2S,3S)-3-hydroxy-2-methylbutanal;yttrium
CID 59809466
methane;3-methylbutan-2-ol;2-methylpropanal
CID 157103655
5-hydroxy-3,6-dimethylheptanal
CID 91437635
ethyl (4S)-3,4-dihydroxypentanoate
CID 156690497
(2R,3S,5R)-2-aminooxy-3,5,6-trihydroxyhexanal
CID 87767587
1-oxohexan-2-yl (2S)-2-amino-3-methylbutanoate
CID 54205503
(3R,4R)-3,4-dihydroxyhexanedial
CID 130673483
(4R)-4-aminooxy-2,3,5-trihydroxyheptanal
CID 118983712
2-hydroxy(1,2,3-13C3)propanal
CID 169442815

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S)-2-aminooxy-4,5-dihydroxyhexanal?
The IUPAC name of (2R,4R,5S)-2-aminooxy-4,5-dihydroxyhexanal (CID 135370570) is (2R,4R,5S)-2-aminooxy-4,5-dihydroxyhexanal.
What is the SMILES notation for (2R,4R,5S)-2-aminooxy-4,5-dihydroxyhexanal?
The canonical SMILES for (2R,4R,5S)-2-aminooxy-4,5-dihydroxyhexanal is C[C@H](O)[C@H](O)C[C@H](C=O)ON.
What is the InChIKey of (2R,4R,5S)-2-aminooxy-4,5-dihydroxyhexanal?
The InChIKey is FAGYLXKEULRXQH-KVQBGUIXSA-N. The full InChI is InChI=1S/C6H13NO4/c1-4(9)6(10)2-5(3-8)11-7/h3-6,9-10H,2,7H2,1H3/t4-,5+,6+/m0/s1.
What are the key properties of (2R,4R,5S)-2-aminooxy-4,5-dihydroxyhexanal?
(2R,4R,5S)-2-aminooxy-4,5-dihydroxyhexanal has a molecular weight of 163.17 g/mol, XLogP of -1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S)-2-aminooxy-4,5-dihydroxyhexanal is sourced from PubChem (CID 135370570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).