azane;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;hydrochloride

C6H16ClNO6 — CID 162313091

IUPACazane;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;hydrochloride
SMILESCl.N.O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C6H12O6.ClH.H3N/c7-1-3(9)5(11)6(12)4(10)2-8;;/h1,3-6,8-12H,2H2;1H;1H3/t3-,4+,5+,6-;;/m0../s1
InChIKeyVWMCDPCJFGPNGW-SHQHISBTSA-N
MW233.65 g/mol
LogP-2.80
Rot. Bonds5

About azane;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;hydrochloride

azane;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;hydrochloride (PubChem CID 162313091) has the molecular formula C6H16ClNO6 and a molecular weight of 233.65 g/mol. Its IUPAC name is azane;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;hydrochloride.

Molecular Properties

Compound Nameazane;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;hydrochloride
PubChem CID162313091
Molecular FormulaC6H16ClNO6
Molecular Weight233.65 g/mol
Exact Mass233.07
IUPAC Nameazane;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;hydrochloride
SMILESCl.N.O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C6H12O6.ClH.H3N/c7-1-3(9)5(11)6(12)4(10)2-8;;/h1,3-6,8-12H,2H2;1H;1H3/t3-,4+,5+,6-;;/m0../s1
InChIKeyVWMCDPCJFGPNGW-SHQHISBTSA-N
XLogP-2.80
TPSA153.22 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.65
LogP ≤ 5-2.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

azane;(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 173336808
(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
(3R,4R)-2,3,4,5,6-pentahydroxyhexanal
CID 130245293
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 3037556
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 86597567
2,3,4,5,6-pentahydroxyhexanal;hydrobromide
CID 174381497
(2R,3S,4S,5R,6R,7R,8R)-2,3,4,5,6,7,8,9-octahydroxynonanal
CID 87088979
methane;(2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanal
CID 175873385
2,3,4,5,6-pentahydroxyhexanal;trihydrate
CID 174605740
2,3,4,5,6-pentahydroxyhexanal;silver
CID 174703669

Frequently Asked Questions

What is the IUPAC name of azane;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;hydrochloride?
The IUPAC name of azane;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;hydrochloride (CID 162313091) is azane;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;hydrochloride.
What is the SMILES notation for azane;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;hydrochloride?
The canonical SMILES for azane;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;hydrochloride is Cl.N.O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of azane;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;hydrochloride?
The InChIKey is VWMCDPCJFGPNGW-SHQHISBTSA-N. The full InChI is InChI=1S/C6H12O6.ClH.H3N/c7-1-3(9)5(11)6(12)4(10)2-8;;/h1,3-6,8-12H,2H2;1H;1H3/t3-,4+,5+,6-;;/m0../s1.
What are the key properties of azane;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;hydrochloride?
azane;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;hydrochloride has a molecular weight of 233.65 g/mol, XLogP of -2.80, 5 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;hydrochloride is sourced from PubChem (CID 162313091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).