2-azido-3,4,5,6-tetrahydroxyhexanal

C6H11N3O5 — CID 22327929

IUPAC2-azido-3,4,5,6-tetrahydroxyhexanal
SMILES[N-]=[N+]=NC(C=O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H11N3O5/c7-9-8-3(1-10)5(13)6(14)4(12)2-11/h1,3-6,11-14H,2H2
InChIKeyMUIFUJRYFJTPGL-UHFFFAOYSA-N
MW205.17 g/mol
LogP-2.06
Rot. Bonds6

About 2-azido-3,4,5,6-tetrahydroxyhexanal

2-azido-3,4,5,6-tetrahydroxyhexanal (PubChem CID 22327929) has the molecular formula C6H11N3O5 and a molecular weight of 205.17 g/mol. Its IUPAC name is 2-azido-3,4,5,6-tetrahydroxyhexanal.

Molecular Properties

Compound Name2-azido-3,4,5,6-tetrahydroxyhexanal
PubChem CID22327929
Molecular FormulaC6H11N3O5
Molecular Weight205.17 g/mol
Exact Mass205.07
IUPAC Name2-azido-3,4,5,6-tetrahydroxyhexanal
SMILES[N-]=[N+]=NC(C=O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H11N3O5/c7-9-8-3(1-10)5(13)6(14)4(12)2-11/h1,3-6,11-14H,2H2
InChIKeyMUIFUJRYFJTPGL-UHFFFAOYSA-N
XLogP-2.06
TPSA146.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

CID 87344768
CID 87344768
(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-isocyanatohexanal
CID 87268273
(3S,4S)-3-azido-4,5-dihydroxypentanal
CID 91421144
formic acid;hexane-1,2,3,4,5,6-hexol
CID 139544091
(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
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87772987
(3R,4R)-2,3,4,5,6-pentahydroxyhexanal
CID 130245293
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 86597567
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 3037556
(2R,3S,4S,5R)-3-azidooxy-2,4,5,6-tetrahydroxyhexanal
CID 87504241
(2R,3S,4S,5R,6R,7R,8R)-2,3,4,5,6,7,8,9-octahydroxynonanal
CID 87088979

Frequently Asked Questions

What is the IUPAC name of 2-azido-3,4,5,6-tetrahydroxyhexanal?
The IUPAC name of 2-azido-3,4,5,6-tetrahydroxyhexanal (CID 22327929) is 2-azido-3,4,5,6-tetrahydroxyhexanal.
What is the SMILES notation for 2-azido-3,4,5,6-tetrahydroxyhexanal?
The canonical SMILES for 2-azido-3,4,5,6-tetrahydroxyhexanal is [N-]=[N+]=NC(C=O)C(O)C(O)C(O)CO.
What is the InChIKey of 2-azido-3,4,5,6-tetrahydroxyhexanal?
The InChIKey is MUIFUJRYFJTPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O5/c7-9-8-3(1-10)5(13)6(14)4(12)2-11/h1,3-6,11-14H,2H2.
What are the key properties of 2-azido-3,4,5,6-tetrahydroxyhexanal?
2-azido-3,4,5,6-tetrahydroxyhexanal has a molecular weight of 205.17 g/mol, XLogP of -2.06, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-3,4,5,6-tetrahydroxyhexanal is sourced from PubChem (CID 22327929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).