(3S,4R,5R)-5-(azidomethyl)-3,4-dihydroxyoxolan-2-one

C5H7N3O4 — CID 130863136

IUPAC(3S,4R,5R)-5-(azidomethyl)-3,4-dihydroxyoxolan-2-one
SMILES[N-]=[N+]=NC[C@H]1OC(=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C5H7N3O4/c6-8-7-1-2-3(9)4(10)5(11)12-2/h2-4,9-10H,1H2/t2-,3+,4+/m1/s1
InChIKeyTVYMNCLFKDIJNE-UZBSEBFBSA-N
MW173.13 g/mol
LogP-1.06
Rot. Bonds2

About (3S,4R,5R)-5-(azidomethyl)-3,4-dihydroxyoxolan-2-one

(3S,4R,5R)-5-(azidomethyl)-3,4-dihydroxyoxolan-2-one (PubChem CID 130863136) has the molecular formula C5H7N3O4 and a molecular weight of 173.13 g/mol. Its IUPAC name is (3S,4R,5R)-5-(azidomethyl)-3,4-dihydroxyoxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5R)-5-(azidomethyl)-3,4-dihydroxyoxolan-2-one
PubChem CID130863136
Molecular FormulaC5H7N3O4
Molecular Weight173.13 g/mol
Exact Mass173.04
IUPAC Name(3S,4R,5R)-5-(azidomethyl)-3,4-dihydroxyoxolan-2-one
SMILES[N-]=[N+]=NC[C@H]1OC(=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C5H7N3O4/c6-8-7-1-2-3(9)4(10)5(11)12-2/h2-4,9-10H,1H2/t2-,3+,4+/m1/s1
InChIKeyTVYMNCLFKDIJNE-UZBSEBFBSA-N
XLogP-1.06
TPSA115.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.13
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
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 (3S,4R,5R)-5-(azidomethyl)-3,4-dihydroxyoxolan-2-one?
The IUPAC name of (3S,4R,5R)-5-(azidomethyl)-3,4-dihydroxyoxolan-2-one (CID 130863136) is (3S,4R,5R)-5-(azidomethyl)-3,4-dihydroxyoxolan-2-one.
What is the SMILES notation for (3S,4R,5R)-5-(azidomethyl)-3,4-dihydroxyoxolan-2-one?
The canonical SMILES for (3S,4R,5R)-5-(azidomethyl)-3,4-dihydroxyoxolan-2-one is [N-]=[N+]=NC[C@H]1OC(=O)[C@@H](O)[C@H]1O.
What is the InChIKey of (3S,4R,5R)-5-(azidomethyl)-3,4-dihydroxyoxolan-2-one?
The InChIKey is TVYMNCLFKDIJNE-UZBSEBFBSA-N. The full InChI is InChI=1S/C5H7N3O4/c6-8-7-1-2-3(9)4(10)5(11)12-2/h2-4,9-10H,1H2/t2-,3+,4+/m1/s1.
What are the key properties of (3S,4R,5R)-5-(azidomethyl)-3,4-dihydroxyoxolan-2-one?
(3S,4R,5R)-5-(azidomethyl)-3,4-dihydroxyoxolan-2-one has a molecular weight of 173.13 g/mol, XLogP of -1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-5-(azidomethyl)-3,4-dihydroxyoxolan-2-one is sourced from PubChem (CID 130863136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).