(2S,3R,4R,5R)-5-azido-3,4,6-trihydroxyoxane-2-carboxylic acid

C6H9N3O6 — CID 71313570

IUPAC(2S,3R,4R,5R)-5-azido-3,4,6-trihydroxyoxane-2-carboxylic acid
SMILES[N-]=[N+]=N[C@H]1C(O)O[C@H](C(=O)O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H9N3O6/c7-9-8-1-2(10)3(11)4(5(12)13)15-6(1)14/h1-4,6,10-11,14H,(H,12,13)/t1-,2-,3-,4+,6?/m1/s1
InChIKeyLHNGMVUPXLPGAZ-BZINKQHNSA-N
MW219.15 g/mol
LogP-1.81
Rot. Bonds2

About (2S,3R,4R,5R)-5-azido-3,4,6-trihydroxyoxane-2-carboxylic acid

(2S,3R,4R,5R)-5-azido-3,4,6-trihydroxyoxane-2-carboxylic acid (PubChem CID 71313570) has the molecular formula C6H9N3O6 and a molecular weight of 219.15 g/mol. Its IUPAC name is (2S,3R,4R,5R)-5-azido-3,4,6-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R,4R,5R)-5-azido-3,4,6-trihydroxyoxane-2-carboxylic acid
PubChem CID71313570
Molecular FormulaC6H9N3O6
Molecular Weight219.15 g/mol
Exact Mass219.05
IUPAC Name(2S,3R,4R,5R)-5-azido-3,4,6-trihydroxyoxane-2-carboxylic acid
SMILES[N-]=[N+]=N[C@H]1C(O)O[C@H](C(=O)O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H9N3O6/c7-9-8-1-2(10)3(11)4(5(12)13)15-6(1)14/h1-4,6,10-11,14H,(H,12,13)/t1-,2-,3-,4+,6?/m1/s1
InChIKeyLHNGMVUPXLPGAZ-BZINKQHNSA-N
XLogP-1.81
TPSA155.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 5-1.81
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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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-5-azido-3,4,6-trihydroxyoxane-2-carboxylic acid?
The IUPAC name of (2S,3R,4R,5R)-5-azido-3,4,6-trihydroxyoxane-2-carboxylic acid (CID 71313570) is (2S,3R,4R,5R)-5-azido-3,4,6-trihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for (2S,3R,4R,5R)-5-azido-3,4,6-trihydroxyoxane-2-carboxylic acid?
The canonical SMILES for (2S,3R,4R,5R)-5-azido-3,4,6-trihydroxyoxane-2-carboxylic acid is [N-]=[N+]=N[C@H]1C(O)O[C@H](C(=O)O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4R,5R)-5-azido-3,4,6-trihydroxyoxane-2-carboxylic acid?
The InChIKey is LHNGMVUPXLPGAZ-BZINKQHNSA-N. The full InChI is InChI=1S/C6H9N3O6/c7-9-8-1-2(10)3(11)4(5(12)13)15-6(1)14/h1-4,6,10-11,14H,(H,12,13)/t1-,2-,3-,4+,6?/m1/s1.
What are the key properties of (2S,3R,4R,5R)-5-azido-3,4,6-trihydroxyoxane-2-carboxylic acid?
(2S,3R,4R,5R)-5-azido-3,4,6-trihydroxyoxane-2-carboxylic acid has a molecular weight of 219.15 g/mol, XLogP of -1.81, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-5-azido-3,4,6-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 71313570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).