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

C6H11N3O5 — CID 23392912

IUPAC(3S,4R,5S,6S)-6-(azidomethyl)oxane-2,3,4,5-tetrol
SMILES[N-]=[N+]=NC[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H11N3O5/c7-9-8-1-2-3(10)4(11)5(12)6(13)14-2/h2-6,10-13H,1H2/t2-,3+,4+,5-,6?/m0/s1
InChIKeyCMLRUUHRGSJVMD-DHVFOXMCSA-N
MW205.17 g/mol
LogP-1.90
Rot. Bonds2

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

(3S,4R,5S,6S)-6-(azidomethyl)oxane-2,3,4,5-tetrol (PubChem CID 23392912) has the molecular formula C6H11N3O5 and a molecular weight of 205.17 g/mol. Its IUPAC name is (3S,4R,5S,6S)-6-(azidomethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3S,4R,5S,6S)-6-(azidomethyl)oxane-2,3,4,5-tetrol
PubChem CID23392912
Molecular FormulaC6H11N3O5
Molecular Weight205.17 g/mol
Exact Mass205.07
IUPAC Name(3S,4R,5S,6S)-6-(azidomethyl)oxane-2,3,4,5-tetrol
SMILES[N-]=[N+]=NC[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H11N3O5/c7-9-8-1-2-3(10)4(11)5(12)6(13)14-2/h2-6,10-13H,1H2/t2-,3+,4+,5-,6?/m0/s1
InChIKeyCMLRUUHRGSJVMD-DHVFOXMCSA-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'}

Analyze (3S,4R,5S,6S)-6-(azidomethyl)oxane-2,3,4,5-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S,6S)-6-(azidomethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (3S,4R,5S,6S)-6-(azidomethyl)oxane-2,3,4,5-tetrol (CID 23392912) is (3S,4R,5S,6S)-6-(azidomethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (3S,4R,5S,6S)-6-(azidomethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (3S,4R,5S,6S)-6-(azidomethyl)oxane-2,3,4,5-tetrol is [N-]=[N+]=NC[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (3S,4R,5S,6S)-6-(azidomethyl)oxane-2,3,4,5-tetrol?
The InChIKey is CMLRUUHRGSJVMD-DHVFOXMCSA-N. The full InChI is InChI=1S/C6H11N3O5/c7-9-8-1-2-3(10)4(11)5(12)6(13)14-2/h2-6,10-13H,1H2/t2-,3+,4+,5-,6?/m0/s1.
What are the key properties of (3S,4R,5S,6S)-6-(azidomethyl)oxane-2,3,4,5-tetrol?
(3S,4R,5S,6S)-6-(azidomethyl)oxane-2,3,4,5-tetrol 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 (3S,4R,5S,6S)-6-(azidomethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 23392912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).