(3R,4R,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-ol

C8H15N3O2 — CID 58247466

IUPAC(3R,4R,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-ol
SMILESCC[C@H](C)[C@H]1OC[C@H](O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C8H15N3O2/c1-3-5(2)8-7(10-11-9)6(12)4-13-8/h5-8,12H,3-4H2,1-2H3/t5-,6-,7+,8+/m0/s1
InChIKeyCWQWMCDQFSPSBF-RULNZFCNSA-N
MW185.23 g/mol
LogP1.47
Rot. Bonds3

About (3R,4R,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-ol

(3R,4R,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-ol (PubChem CID 58247466) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is (3R,4R,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-ol.

Molecular Properties

Compound Name(3R,4R,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-ol
PubChem CID58247466
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name(3R,4R,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-ol
SMILESCC[C@H](C)[C@H]1OC[C@H](O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C8H15N3O2/c1-3-5(2)8-7(10-11-9)6(12)4-13-8/h5-8,12H,3-4H2,1-2H3/t5-,6-,7+,8+/m0/s1
InChIKeyCWQWMCDQFSPSBF-RULNZFCNSA-N
XLogP1.47
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,4R,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-ol?
The IUPAC name of (3R,4R,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-ol (CID 58247466) is (3R,4R,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-ol.
What is the SMILES notation for (3R,4R,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-ol?
The canonical SMILES for (3R,4R,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-ol is CC[C@H](C)[C@H]1OC[C@H](O)[C@H]1N=[N+]=[N-].
What is the InChIKey of (3R,4R,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-ol?
The InChIKey is CWQWMCDQFSPSBF-RULNZFCNSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-3-5(2)8-7(10-11-9)6(12)4-13-8/h5-8,12H,3-4H2,1-2H3/t5-,6-,7+,8+/m0/s1.
What are the key properties of (3R,4R,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-ol?
(3R,4R,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-ol has a molecular weight of 185.23 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-ol is sourced from PubChem (CID 58247466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).