5-amino-4-azido-6-methoxyoxan-3-ol

C6H12N4O3 — CID 14456147

IUPAC5-amino-4-azido-6-methoxyoxan-3-ol
SMILESCOC1OCC(O)C(N=[N+]=[N-])C1N
InChIInChI=1S/C6H12N4O3/c1-12-6-4(7)5(9-10-8)3(11)2-13-6/h3-6,11H,2,7H2,1H3
InChIKeyUAKVSHWIPPEYKX-UHFFFAOYSA-N
MW188.19 g/mol
LogP-0.64
Rot. Bonds2

About 5-amino-4-azido-6-methoxyoxan-3-ol

5-amino-4-azido-6-methoxyoxan-3-ol (PubChem CID 14456147) has the molecular formula C6H12N4O3 and a molecular weight of 188.19 g/mol. Its IUPAC name is 5-amino-4-azido-6-methoxyoxan-3-ol.

Molecular Properties

Compound Name5-amino-4-azido-6-methoxyoxan-3-ol
PubChem CID14456147
Molecular FormulaC6H12N4O3
Molecular Weight188.19 g/mol
Exact Mass188.09
IUPAC Name5-amino-4-azido-6-methoxyoxan-3-ol
SMILESCOC1OCC(O)C(N=[N+]=[N-])C1N
InChIInChI=1S/C6H12N4O3/c1-12-6-4(7)5(9-10-8)3(11)2-13-6/h3-6,11H,2,7H2,1H3
InChIKeyUAKVSHWIPPEYKX-UHFFFAOYSA-N
XLogP-0.64
TPSA113.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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

(4-azido-5-hydroxy-2-methoxyoxan-3-yl) benzoate
CID 140895417
3,5-diamino-2-methoxyoxan-4-ol
CID 74817913
(4S,5S)-5-azido-4,6-dimethyloxan-3-ol
CID 157349847
(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
CID 24802344
(2R,3S,4S)-2-methoxyoxolane-3,4-diol
CID 130831872
(2R,3R,4S)-2-methoxyoxolane-3,4-diol
CID 14443636
(2R,3S,4R)-3-amino-2-methoxyoxan-4-ol
CID 55289399
(2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol
CID 101338794
(2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 130936452
(2S,4aR,6S,7R,8R,8aR)-7-azido-6-methoxy-2-(4-methoxyphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 101265719
(2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 165349660
(2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol
CID 100984386

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-azido-6-methoxyoxan-3-ol?
The IUPAC name of 5-amino-4-azido-6-methoxyoxan-3-ol (CID 14456147) is 5-amino-4-azido-6-methoxyoxan-3-ol.
What is the SMILES notation for 5-amino-4-azido-6-methoxyoxan-3-ol?
The canonical SMILES for 5-amino-4-azido-6-methoxyoxan-3-ol is COC1OCC(O)C(N=[N+]=[N-])C1N.
What is the InChIKey of 5-amino-4-azido-6-methoxyoxan-3-ol?
The InChIKey is UAKVSHWIPPEYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O3/c1-12-6-4(7)5(9-10-8)3(11)2-13-6/h3-6,11H,2,7H2,1H3.
What are the key properties of 5-amino-4-azido-6-methoxyoxan-3-ol?
5-amino-4-azido-6-methoxyoxan-3-ol has a molecular weight of 188.19 g/mol, XLogP of -0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-azido-6-methoxyoxan-3-ol is sourced from PubChem (CID 14456147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).