(3R,5R)-5-[(1R)-2-azido-1-hydroxyethyl]-3-hydroxyoxolan-2-one

C6H9N3O4 — CID 101015956

IUPAC(3R,5R)-5-[(1R)-2-azido-1-hydroxyethyl]-3-hydroxyoxolan-2-one
SMILES[N-]=[N+]=NC[C@@H](O)[C@H]1C[C@@H](O)C(=O)O1
InChIInChI=1S/C6H9N3O4/c7-9-8-2-4(11)5-1-3(10)6(12)13-5/h3-5,10-11H,1-2H2/t3-,4-,5-/m1/s1
InChIKeyMCRKEFYDNVKAMY-UOWFLXDJSA-N
MW187.16 g/mol
LogP-0.67
Rot. Bonds3

About (3R,5R)-5-[(1R)-2-azido-1-hydroxyethyl]-3-hydroxyoxolan-2-one

(3R,5R)-5-[(1R)-2-azido-1-hydroxyethyl]-3-hydroxyoxolan-2-one (PubChem CID 101015956) has the molecular formula C6H9N3O4 and a molecular weight of 187.16 g/mol. Its IUPAC name is (3R,5R)-5-[(1R)-2-azido-1-hydroxyethyl]-3-hydroxyoxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-5-[(1R)-2-azido-1-hydroxyethyl]-3-hydroxyoxolan-2-one
PubChem CID101015956
Molecular FormulaC6H9N3O4
Molecular Weight187.16 g/mol
Exact Mass187.06
IUPAC Name(3R,5R)-5-[(1R)-2-azido-1-hydroxyethyl]-3-hydroxyoxolan-2-one
SMILES[N-]=[N+]=NC[C@@H](O)[C@H]1C[C@@H](O)C(=O)O1
InChIInChI=1S/C6H9N3O4/c7-9-8-2-4(11)5-1-3(10)6(12)13-5/h3-5,10-11H,1-2H2/t3-,4-,5-/m1/s1
InChIKeyMCRKEFYDNVKAMY-UOWFLXDJSA-N
XLogP-0.67
TPSA115.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 5-0.67
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 (3R,5R)-5-[(1R)-2-azido-1-hydroxyethyl]-3-hydroxyoxolan-2-one?
The IUPAC name of (3R,5R)-5-[(1R)-2-azido-1-hydroxyethyl]-3-hydroxyoxolan-2-one (CID 101015956) is (3R,5R)-5-[(1R)-2-azido-1-hydroxyethyl]-3-hydroxyoxolan-2-one.
What is the SMILES notation for (3R,5R)-5-[(1R)-2-azido-1-hydroxyethyl]-3-hydroxyoxolan-2-one?
The canonical SMILES for (3R,5R)-5-[(1R)-2-azido-1-hydroxyethyl]-3-hydroxyoxolan-2-one is [N-]=[N+]=NC[C@@H](O)[C@H]1C[C@@H](O)C(=O)O1.
What is the InChIKey of (3R,5R)-5-[(1R)-2-azido-1-hydroxyethyl]-3-hydroxyoxolan-2-one?
The InChIKey is MCRKEFYDNVKAMY-UOWFLXDJSA-N. The full InChI is InChI=1S/C6H9N3O4/c7-9-8-2-4(11)5-1-3(10)6(12)13-5/h3-5,10-11H,1-2H2/t3-,4-,5-/m1/s1.
What are the key properties of (3R,5R)-5-[(1R)-2-azido-1-hydroxyethyl]-3-hydroxyoxolan-2-one?
(3R,5R)-5-[(1R)-2-azido-1-hydroxyethyl]-3-hydroxyoxolan-2-one has a molecular weight of 187.16 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[(1R)-2-azido-1-hydroxyethyl]-3-hydroxyoxolan-2-one is sourced from PubChem (CID 101015956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).