2,6-diamino-5-hydroxyhexanoic acid;2,3,4,5,6-pentahydroxyhexanal

C12H26N2O9 — CID 175432317

IUPAC2,6-diamino-5-hydroxyhexanoic acid;2,3,4,5,6-pentahydroxyhexanal
SMILESNCC(O)CCC(N)C(=O)O.O=CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H14N2O3.C6H12O6/c7-3-4(9)1-2-5(8)6(10)11;7-1-3(9)5(11)6(12)4(10)2-8/h4-5,9H,1-3,7-8H2,(H,10,11);1,3-6,8-12H,2H2
InChIKeyTUZKCRBMXQEFNQ-UHFFFAOYSA-N
MW342.35 g/mol
LogP-4.88
Rot. Bonds10

About 2,6-diamino-5-hydroxyhexanoic acid;2,3,4,5,6-pentahydroxyhexanal

2,6-diamino-5-hydroxyhexanoic acid;2,3,4,5,6-pentahydroxyhexanal (PubChem CID 175432317) has the molecular formula C12H26N2O9 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2,6-diamino-5-hydroxyhexanoic acid;2,3,4,5,6-pentahydroxyhexanal.

Molecular Properties

Compound Name2,6-diamino-5-hydroxyhexanoic acid;2,3,4,5,6-pentahydroxyhexanal
PubChem CID175432317
Molecular FormulaC12H26N2O9
Molecular Weight342.35 g/mol
Exact Mass342.16
IUPAC Name2,6-diamino-5-hydroxyhexanoic acid;2,3,4,5,6-pentahydroxyhexanal
SMILESNCC(O)CCC(N)C(=O)O.O=CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H14N2O3.C6H12O6/c7-3-4(9)1-2-5(8)6(10)11;7-1-3(9)5(11)6(12)4(10)2-8/h4-5,9H,1-3,7-8H2,(H,10,11);1,3-6,8-12H,2H2
InChIKeyTUZKCRBMXQEFNQ-UHFFFAOYSA-N
XLogP-4.88
TPSA227.79 Ų
H-Bond Donors9
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.35
LogP ≤ 5-4.88
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-hydroxypropanoic acid;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 88548020
2-aminopentanedioic acid;hexane-1,2,3,4,5,6-hexol;2,3,4,5,6-pentahydroxyhexanal
CID 174545253
2,6-diaminohexanoic acid;bis(2,3,4,5,6-pentahydroxyhexanal);hydrochloride
CID 174455845
2,6-diaminohexanoic acid;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 87253984
(5S)-2,6-diamino-5-hydroxyhexanoic acid
CID 123323181
2-amino-4-methylpentanoic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87866111
2-aminoacetic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87367156
2,6-diamino-5-hydroxyhexanoic acid;hydrochloride
CID 2724399
2,3-dihydroxybutanedioic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 161465401
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87772987
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87227969
(2S)-2,3,4,5,6-pentahydroxyhexanal
CID 89242343

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-5-hydroxyhexanoic acid;2,3,4,5,6-pentahydroxyhexanal?
The IUPAC name of 2,6-diamino-5-hydroxyhexanoic acid;2,3,4,5,6-pentahydroxyhexanal (CID 175432317) is 2,6-diamino-5-hydroxyhexanoic acid;2,3,4,5,6-pentahydroxyhexanal.
What is the SMILES notation for 2,6-diamino-5-hydroxyhexanoic acid;2,3,4,5,6-pentahydroxyhexanal?
The canonical SMILES for 2,6-diamino-5-hydroxyhexanoic acid;2,3,4,5,6-pentahydroxyhexanal is NCC(O)CCC(N)C(=O)O.O=CC(O)C(O)C(O)C(O)CO.
What is the InChIKey of 2,6-diamino-5-hydroxyhexanoic acid;2,3,4,5,6-pentahydroxyhexanal?
The InChIKey is TUZKCRBMXQEFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3.C6H12O6/c7-3-4(9)1-2-5(8)6(10)11;7-1-3(9)5(11)6(12)4(10)2-8/h4-5,9H,1-3,7-8H2,(H,10,11);1,3-6,8-12H,2H2.
What are the key properties of 2,6-diamino-5-hydroxyhexanoic acid;2,3,4,5,6-pentahydroxyhexanal?
2,6-diamino-5-hydroxyhexanoic acid;2,3,4,5,6-pentahydroxyhexanal has a molecular weight of 342.35 g/mol, XLogP of -4.88, 10 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-5-hydroxyhexanoic acid;2,3,4,5,6-pentahydroxyhexanal is sourced from PubChem (CID 175432317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).