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

C6H11N3O6 — CID 90707173

IUPAC(2S,3R,4R,5S,6R)-5-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILES[N-]=[N+]=N[C@]1(O)[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1CO
InChIInChI=1S/C6H11N3O6/c7-9-8-6(14)2(1-10)15-5(13)3(11)4(6)12/h2-5,10-14H,1H2/t2-,3-,4-,5+,6-/m1/s1
InChIKeyGEJGRSVDKMUAPL-DGPNFKTASA-N
MW221.17 g/mol
LogP-2.58
Rot. Bonds2

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

(2S,3R,4R,5S,6R)-5-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 90707173) has the molecular formula C6H11N3O6 and a molecular weight of 221.17 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-5-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-5-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID90707173
Molecular FormulaC6H11N3O6
Molecular Weight221.17 g/mol
Exact Mass221.06
IUPAC Name(2S,3R,4R,5S,6R)-5-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILES[N-]=[N+]=N[C@]1(O)[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1CO
InChIInChI=1S/C6H11N3O6/c7-9-8-6(14)2(1-10)15-5(13)3(11)4(6)12/h2-5,10-14H,1H2/t2-,3-,4-,5+,6-/m1/s1
InChIKeyGEJGRSVDKMUAPL-DGPNFKTASA-N
XLogP-2.58
TPSA159.14 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 5-2.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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

(3R,4S,5R,6R)-3-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 175255242
(3R,4R,5R,6R)-5-amino-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 175530729
(2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)oxane-3-carbonitrile
CID 174599917
(2R,3R,4S,5S)-4,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 57254767
(3S,4S,5R,6S)-6-(hydroxymethyl)-5-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-2,3,4,5-tetrol
CID 175006959
(2R,3S,4S,5S,6S)-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-2,3,4,5-tetrol
CID 70500752
(3S,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-2,3,4,5-tetrol
CID 122386513
(1S,2R,4S,5S)-2-azido-4-(hydroxymethyl)-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-1,2,5-triol
CID 174423377
(2S,3R,4R,5S,6R)-5-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 57206104
(2S,3S,4S,5R,6S)-2-(azidomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101008658
(2S,3R,4S,5R,6R)-2-azido-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carbonitrile
CID 100962429
4-azido-6-(hydroxymethyl)oxane-2,3,5-triol
CID 12775534

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-5-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4R,5S,6R)-5-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 90707173) is (2S,3R,4R,5S,6R)-5-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-5-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4R,5S,6R)-5-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is [N-]=[N+]=N[C@]1(O)[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1CO.
What is the InChIKey of (2S,3R,4R,5S,6R)-5-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is GEJGRSVDKMUAPL-DGPNFKTASA-N. The full InChI is InChI=1S/C6H11N3O6/c7-9-8-6(14)2(1-10)15-5(13)3(11)4(6)12/h2-5,10-14H,1H2/t2-,3-,4-,5+,6-/m1/s1.
What are the key properties of (2S,3R,4R,5S,6R)-5-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
(2S,3R,4R,5S,6R)-5-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 221.17 g/mol, XLogP of -2.58, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6R)-5-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 90707173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).