5-amino-6-hydroxyhexane-2,4-dione;azane;tetrahydrochloride

C6H24Cl4N4O3 — CID 173221930

IUPAC5-amino-6-hydroxyhexane-2,4-dione;azane;tetrahydrochloride
SMILESCC(=O)CC(=O)C(N)CO.Cl.Cl.Cl.Cl.N.N.N
InChIInChI=1S/C6H11NO3.4ClH.3H3N/c1-4(9)2-6(10)5(7)3-8;;;;;;;/h5,8H,2-3,7H2,1H3;4*1H;3*1H3
InChIKeyTWDLDQFMLNSZDU-UHFFFAOYSA-N
MW342.10 g/mol
LogP1.03
Rot. Bonds4

About 5-amino-6-hydroxyhexane-2,4-dione;azane;tetrahydrochloride

5-amino-6-hydroxyhexane-2,4-dione;azane;tetrahydrochloride (PubChem CID 173221930) has the molecular formula C6H24Cl4N4O3 and a molecular weight of 342.10 g/mol. Its IUPAC name is 5-amino-6-hydroxyhexane-2,4-dione;azane;tetrahydrochloride.

Molecular Properties

Compound Name5-amino-6-hydroxyhexane-2,4-dione;azane;tetrahydrochloride
PubChem CID173221930
Molecular FormulaC6H24Cl4N4O3
Molecular Weight342.10 g/mol
Exact Mass340.06
IUPAC Name5-amino-6-hydroxyhexane-2,4-dione;azane;tetrahydrochloride
SMILESCC(=O)CC(=O)C(N)CO.Cl.Cl.Cl.Cl.N.N.N
InChIInChI=1S/C6H11NO3.4ClH.3H3N/c1-4(9)2-6(10)5(7)3-8;;;;;;;/h5,8H,2-3,7H2,1H3;4*1H;3*1H3
InChIKeyTWDLDQFMLNSZDU-UHFFFAOYSA-N
XLogP1.03
TPSA185.39 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.10
LogP ≤ 51.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-1-hydroxypentan-3-one
CID 146364996
(3S)-3-amino-4-hydroxybutan-2-one
CID 91337493
methyl 2-amino-3-hydroxypropanoate;hydrochloride
CID 517373
2-amino-1-hydroxy-5-methylhexan-3-one
CID 116920589
(5S)-5-amino-8-(diaminomethylamino)octane-2,4-dione
CID 89257101
(3R)-3-amino-4-hydroxy-1-sulfanylbutan-2-one
CID 174592431
methyl (2S)-2-amino-3-hydroxypropanoate
CID 2723731
2-amino-3-hydroxypropanamide;hydrochloride
CID 3085322
(2R)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride
CID 56846070
copper 5-methylhexane-2,4-dione
CID 54598918
trisodium;(2S)-2-amino-3-hydroxypropanoate;diacetate
CID 141087880
2-amino-1-hydroxyoctadecan-3-one
CID 631

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-hydroxyhexane-2,4-dione;azane;tetrahydrochloride?
The IUPAC name of 5-amino-6-hydroxyhexane-2,4-dione;azane;tetrahydrochloride (CID 173221930) is 5-amino-6-hydroxyhexane-2,4-dione;azane;tetrahydrochloride.
What is the SMILES notation for 5-amino-6-hydroxyhexane-2,4-dione;azane;tetrahydrochloride?
The canonical SMILES for 5-amino-6-hydroxyhexane-2,4-dione;azane;tetrahydrochloride is CC(=O)CC(=O)C(N)CO.Cl.Cl.Cl.Cl.N.N.N.
What is the InChIKey of 5-amino-6-hydroxyhexane-2,4-dione;azane;tetrahydrochloride?
The InChIKey is TWDLDQFMLNSZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.4ClH.3H3N/c1-4(9)2-6(10)5(7)3-8;;;;;;;/h5,8H,2-3,7H2,1H3;4*1H;3*1H3.
What are the key properties of 5-amino-6-hydroxyhexane-2,4-dione;azane;tetrahydrochloride?
5-amino-6-hydroxyhexane-2,4-dione;azane;tetrahydrochloride has a molecular weight of 342.10 g/mol, XLogP of 1.03, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-hydroxyhexane-2,4-dione;azane;tetrahydrochloride is sourced from PubChem (CID 173221930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).