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

C6H11N3O4 — CID 57003447

IUPAC(2R,3S,4R,5R)-5-azido-2-(hydroxymethyl)oxane-3,4-diol
SMILES[N-]=[N+]=N[C@@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11N3O4/c7-9-8-3-2-13-4(1-10)6(12)5(3)11/h3-6,10-12H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKeyUNPRDVHWNUYZCM-KVTDHHQDSA-N
MW189.17 g/mol
LogP-1.22
Rot. Bonds2

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

(2R,3S,4R,5R)-5-azido-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 57003447) has the molecular formula C6H11N3O4 and a molecular weight of 189.17 g/mol. Its IUPAC name is (2R,3S,4R,5R)-5-azido-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-5-azido-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID57003447
Molecular FormulaC6H11N3O4
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name(2R,3S,4R,5R)-5-azido-2-(hydroxymethyl)oxane-3,4-diol
SMILES[N-]=[N+]=N[C@@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11N3O4/c7-9-8-3-2-13-4(1-10)6(12)5(3)11/h3-6,10-12H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKeyUNPRDVHWNUYZCM-KVTDHHQDSA-N
XLogP-1.22
TPSA118.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-5-azido-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R)-5-azido-2-(hydroxymethyl)oxane-3,4-diol (CID 57003447) is (2R,3S,4R,5R)-5-azido-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R)-5-azido-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R)-5-azido-2-(hydroxymethyl)oxane-3,4-diol is [N-]=[N+]=N[C@@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-5-azido-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is UNPRDVHWNUYZCM-KVTDHHQDSA-N. The full InChI is InChI=1S/C6H11N3O4/c7-9-8-3-2-13-4(1-10)6(12)5(3)11/h3-6,10-12H,1-2H2/t3-,4-,5-,6-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-5-azido-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3S,4R,5R)-5-azido-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 189.17 g/mol, XLogP of -1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-5-azido-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 57003447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).