(2S,3S,5S)-5-[(1R)-2-azido-1-hydroxyethyl]oxolane-2,3-diol

C6H11N3O4 — CID 130865556

IUPAC(2S,3S,5S)-5-[(1R)-2-azido-1-hydroxyethyl]oxolane-2,3-diol
SMILES[N-]=[N+]=NC[C@@H](O)[C@@H]1C[C@H](O)[C@@H](O)O1
InChIInChI=1S/C6H11N3O4/c7-9-8-2-4(11)5-1-3(10)6(12)13-5/h3-6,10-12H,1-2H2/t3-,4+,5-,6-/m0/s1
InChIKeyLPVPPQRBQDNFBS-FSIIMWSLSA-N
MW189.17 g/mol
LogP-0.87
Rot. Bonds3

About (2S,3S,5S)-5-[(1R)-2-azido-1-hydroxyethyl]oxolane-2,3-diol

(2S,3S,5S)-5-[(1R)-2-azido-1-hydroxyethyl]oxolane-2,3-diol (PubChem CID 130865556) has the molecular formula C6H11N3O4 and a molecular weight of 189.17 g/mol. Its IUPAC name is (2S,3S,5S)-5-[(1R)-2-azido-1-hydroxyethyl]oxolane-2,3-diol.

Molecular Properties

Compound Name(2S,3S,5S)-5-[(1R)-2-azido-1-hydroxyethyl]oxolane-2,3-diol
PubChem CID130865556
Molecular FormulaC6H11N3O4
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name(2S,3S,5S)-5-[(1R)-2-azido-1-hydroxyethyl]oxolane-2,3-diol
SMILES[N-]=[N+]=NC[C@@H](O)[C@@H]1C[C@H](O)[C@@H](O)O1
InChIInChI=1S/C6H11N3O4/c7-9-8-2-4(11)5-1-3(10)6(12)13-5/h3-6,10-12H,1-2H2/t3-,4+,5-,6-/m0/s1
InChIKeyLPVPPQRBQDNFBS-FSIIMWSLSA-N
XLogP-0.87
TPSA118.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.87
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 (2S,3S,5S)-5-[(1R)-2-azido-1-hydroxyethyl]oxolane-2,3-diol?
The IUPAC name of (2S,3S,5S)-5-[(1R)-2-azido-1-hydroxyethyl]oxolane-2,3-diol (CID 130865556) is (2S,3S,5S)-5-[(1R)-2-azido-1-hydroxyethyl]oxolane-2,3-diol.
What is the SMILES notation for (2S,3S,5S)-5-[(1R)-2-azido-1-hydroxyethyl]oxolane-2,3-diol?
The canonical SMILES for (2S,3S,5S)-5-[(1R)-2-azido-1-hydroxyethyl]oxolane-2,3-diol is [N-]=[N+]=NC[C@@H](O)[C@@H]1C[C@H](O)[C@@H](O)O1.
What is the InChIKey of (2S,3S,5S)-5-[(1R)-2-azido-1-hydroxyethyl]oxolane-2,3-diol?
The InChIKey is LPVPPQRBQDNFBS-FSIIMWSLSA-N. The full InChI is InChI=1S/C6H11N3O4/c7-9-8-2-4(11)5-1-3(10)6(12)13-5/h3-6,10-12H,1-2H2/t3-,4+,5-,6-/m0/s1.
What are the key properties of (2S,3S,5S)-5-[(1R)-2-azido-1-hydroxyethyl]oxolane-2,3-diol?
(2S,3S,5S)-5-[(1R)-2-azido-1-hydroxyethyl]oxolane-2,3-diol has a molecular weight of 189.17 g/mol, XLogP of -0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S)-5-[(1R)-2-azido-1-hydroxyethyl]oxolane-2,3-diol is sourced from PubChem (CID 130865556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).