(2R,3R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol

C6H11N3O5 — CID 140539179

IUPAC(2R,3R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES[N-]=[N+]=N[C@@H]1O[C@H](CO)[C@H](O)C(O)[C@H]1O
InChIInChI=1S/C6H11N3O5/c7-9-8-6-5(13)4(12)3(11)2(1-10)14-6/h2-6,10-13H,1H2/t2-,3+,4?,5-,6-/m1/s1
InChIKeyKSRDTSABQYNYMP-WLLFSWDISA-N
MW205.17 g/mol
LogP-1.90
Rot. Bonds2

About (2R,3R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 140539179) has the molecular formula C6H11N3O5 and a molecular weight of 205.17 g/mol. Its IUPAC name is (2R,3R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID140539179
Molecular FormulaC6H11N3O5
Molecular Weight205.17 g/mol
Exact Mass205.07
IUPAC Name(2R,3R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES[N-]=[N+]=N[C@@H]1O[C@H](CO)[C@H](O)C(O)[C@H]1O
InChIInChI=1S/C6H11N3O5/c7-9-8-6-5(13)4(12)3(11)2(1-10)14-6/h2-6,10-13H,1H2/t2-,3+,4?,5-,6-/m1/s1
InChIKeyKSRDTSABQYNYMP-WLLFSWDISA-N
XLogP-1.90
TPSA138.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

(2R,3R,4R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol
CID 124746214
(2R,3R,4S,5R)-5-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 57135978
(2R,3S,4R,5R,6R)-6-azido-2-(hydroxymethyl)-5-(propan-2-ylideneamino)oxane-3,4-diol
CID 131844505
N-[(2S,3R,4R,5S,6S)-2-azido-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11919003
2-(hydroxymethyl)-6-nitrosooxane-3,4,5-triol
CID 154521767
(2R,5S)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 135080637
(4S,5R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 172641707
(2R,3S,5R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 130197819
(2S,3R,4S,5R,6R)-2-[(3R,4R,5R,6S)-6-azido-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 173488418
(2S,3S,4S,5R,6S)-2-(azidomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101008658
N-[(2R,4R,5S)-2-azido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 123355591
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol (CID 140539179) is (2R,3R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol is [N-]=[N+]=N[C@@H]1O[C@H](CO)[C@H](O)C(O)[C@H]1O.
What is the InChIKey of (2R,3R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is KSRDTSABQYNYMP-WLLFSWDISA-N. The full InChI is InChI=1S/C6H11N3O5/c7-9-8-6-5(13)4(12)3(11)2(1-10)14-6/h2-6,10-13H,1H2/t2-,3+,4?,5-,6-/m1/s1.
What are the key properties of (2R,3R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 205.17 g/mol, XLogP of -1.90, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 140539179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).