(2R,3S,5R)-2-aminooxy-3,5,6-trihydroxyhexanal

C6H13NO5 — CID 87767587

IUPAC(2R,3S,5R)-2-aminooxy-3,5,6-trihydroxyhexanal
SMILESNO[C@@H](C=O)[C@@H](O)C[C@@H](O)CO
InChIInChI=1S/C6H13NO5/c7-12-6(3-9)5(11)1-4(10)2-8/h3-6,8,10-11H,1-2,7H2/t4-,5+,6+/m1/s1
InChIKeyDBYFPJIZEUNRTC-SRQIZXRXSA-N
MW179.17 g/mol
LogP-2.45
Rot. Bonds6

About (2R,3S,5R)-2-aminooxy-3,5,6-trihydroxyhexanal

(2R,3S,5R)-2-aminooxy-3,5,6-trihydroxyhexanal (PubChem CID 87767587) has the molecular formula C6H13NO5 and a molecular weight of 179.17 g/mol. Its IUPAC name is (2R,3S,5R)-2-aminooxy-3,5,6-trihydroxyhexanal.

Molecular Properties

Compound Name(2R,3S,5R)-2-aminooxy-3,5,6-trihydroxyhexanal
PubChem CID87767587
Molecular FormulaC6H13NO5
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name(2R,3S,5R)-2-aminooxy-3,5,6-trihydroxyhexanal
SMILESNO[C@@H](C=O)[C@@H](O)C[C@@H](O)CO
InChIInChI=1S/C6H13NO5/c7-12-6(3-9)5(11)1-4(10)2-8/h3-6,8,10-11H,1-2,7H2/t4-,5+,6+/m1/s1
InChIKeyDBYFPJIZEUNRTC-SRQIZXRXSA-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,3S,5R)-2,3,5,6-tetrahydroxyhexanal
CID 87629798
(2R,4S,5R)-2-aminooxy-4,5,6-trihydroxyhexanal
CID 88657763
(2R,3R,5R)-hexane-1,2,3,5,6-pentol
CID 6451627
(2R,3S,5S)-3-arsanyloxy-2,5,6-trihydroxyhexanal
CID 173185656
[(2R,3R,4R)-4,5-dihydroxy-1-oxo-2-phosphonooxypentan-3-yl] dihydrogen phosphate
CID 20845992
[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl] carbamate
CID 87990726
[(2R,3S,4R,5R)-3-(2-aminoacetyl)oxy-4,5,6-trihydroxy-1-oxohexan-2-yl] 2-aminoacetate
CID 91155465
(2R,3S,4R,5R)-2,3-diaminooxy-4,5-dihydroxyhexanal
CID 87361841
(3,4-dihydroxy-1-oxobutan-2-yl) acetate
CID 141209560
(2R,4R,5S)-2-aminooxy-4,5-dihydroxyhexanal
CID 135370570
(2R,3S,5S)-2,3,5,6-tetrahydroxyhexanoyl bromide
CID 118225431
6-methoxyhexane-1,2,4,5-tetrol
CID 123365774

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-2-aminooxy-3,5,6-trihydroxyhexanal?
The IUPAC name of (2R,3S,5R)-2-aminooxy-3,5,6-trihydroxyhexanal (CID 87767587) is (2R,3S,5R)-2-aminooxy-3,5,6-trihydroxyhexanal.
What is the SMILES notation for (2R,3S,5R)-2-aminooxy-3,5,6-trihydroxyhexanal?
The canonical SMILES for (2R,3S,5R)-2-aminooxy-3,5,6-trihydroxyhexanal is NO[C@@H](C=O)[C@@H](O)C[C@@H](O)CO.
What is the InChIKey of (2R,3S,5R)-2-aminooxy-3,5,6-trihydroxyhexanal?
The InChIKey is DBYFPJIZEUNRTC-SRQIZXRXSA-N. The full InChI is InChI=1S/C6H13NO5/c7-12-6(3-9)5(11)1-4(10)2-8/h3-6,8,10-11H,1-2,7H2/t4-,5+,6+/m1/s1.
What are the key properties of (2R,3S,5R)-2-aminooxy-3,5,6-trihydroxyhexanal?
(2R,3S,5R)-2-aminooxy-3,5,6-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,3S,5R)-2-aminooxy-3,5,6-trihydroxyhexanal is sourced from PubChem (CID 87767587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).