3-amino-4,5-dihydroxyhexanal;hydrochloride

C6H14ClNO3 — CID 54600176

IUPAC3-amino-4,5-dihydroxyhexanal;hydrochloride
SMILESCC(O)C(O)C(N)CC=O.Cl
InChIInChI=1S/C6H13NO3.ClH/c1-4(9)6(10)5(7)2-3-8;/h3-6,9-10H,2,7H2,1H3;1H
InChIKeyFHYCNFQONIRRCV-UHFFFAOYSA-N
MW183.63 g/mol
LogP-0.93
Rot. Bonds4

About 3-amino-4,5-dihydroxyhexanal;hydrochloride

3-amino-4,5-dihydroxyhexanal;hydrochloride (PubChem CID 54600176) has the molecular formula C6H14ClNO3 and a molecular weight of 183.63 g/mol. Its IUPAC name is 3-amino-4,5-dihydroxyhexanal;hydrochloride.

Molecular Properties

Compound Name3-amino-4,5-dihydroxyhexanal;hydrochloride
PubChem CID54600176
Molecular FormulaC6H14ClNO3
Molecular Weight183.63 g/mol
Exact Mass183.07
IUPAC Name3-amino-4,5-dihydroxyhexanal;hydrochloride
SMILESCC(O)C(O)C(N)CC=O.Cl
InChIInChI=1S/C6H13NO3.ClH/c1-4(9)6(10)5(7)2-3-8;/h3-6,9-10H,2,7H2,1H3;1H
InChIKeyFHYCNFQONIRRCV-UHFFFAOYSA-N
XLogP-0.93
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.63
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S,5R)-2-amino-3,4,5-trihydroxyhexanal
CID 5460919
(2S,3R,4R)-2-amino-3,4,5-trihydroxyhexanal
CID 131227229
(3S,4S,5R)-4-amino-5-hydroxy-3-methoxyhexanal
CID 131853597
(3S,4R)-3-fluoro-4-hydroxypentanal
CID 89287847
(2S,3R,4S,5R)-3-amino-2,4,5-trihydroxyhexanal
CID 12895615
3,5,7-trihydroxyoctanal
CID 164710591
3-(3,3-diaminoprop-1-en-2-ylamino)butanal
CID 135130114
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal;(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal
CID 157202007
(3R,4R)-3,4-dihydroxyhexanedial
CID 130673483
2-amino-3-methyl-5-oxopentanoic acid
CID 22594684
3-hydroxypentanal;methanamine
CID 174648159
(2S,3R)-3-aminohex-5-en-2-ol
CID 130715143

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dihydroxyhexanal;hydrochloride?
The IUPAC name of 3-amino-4,5-dihydroxyhexanal;hydrochloride (CID 54600176) is 3-amino-4,5-dihydroxyhexanal;hydrochloride.
What is the SMILES notation for 3-amino-4,5-dihydroxyhexanal;hydrochloride?
The canonical SMILES for 3-amino-4,5-dihydroxyhexanal;hydrochloride is CC(O)C(O)C(N)CC=O.Cl.
What is the InChIKey of 3-amino-4,5-dihydroxyhexanal;hydrochloride?
The InChIKey is FHYCNFQONIRRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3.ClH/c1-4(9)6(10)5(7)2-3-8;/h3-6,9-10H,2,7H2,1H3;1H.
What are the key properties of 3-amino-4,5-dihydroxyhexanal;hydrochloride?
3-amino-4,5-dihydroxyhexanal;hydrochloride has a molecular weight of 183.63 g/mol, XLogP of -0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dihydroxyhexanal;hydrochloride is sourced from PubChem (CID 54600176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).