(2S,3S,4S)-2-(azidomethyl)-5-methyloxolane-3,4-diol

C6H11N3O3 — CID 164952403

IUPAC(2S,3S,4S)-2-(azidomethyl)-5-methyloxolane-3,4-diol
SMILESCC1O[C@@H](CN=[N+]=[N-])[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11N3O3/c1-3-5(10)6(11)4(12-3)2-8-9-7/h3-6,10-11H,2H2,1H3/t3?,4-,5+,6+/m0/s1
InChIKeyPPWSKUAEZJKSPO-HVILQDHVSA-N
MW173.17 g/mol
LogP-0.19
Rot. Bonds2

About (2S,3S,4S)-2-(azidomethyl)-5-methyloxolane-3,4-diol

(2S,3S,4S)-2-(azidomethyl)-5-methyloxolane-3,4-diol (PubChem CID 164952403) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is (2S,3S,4S)-2-(azidomethyl)-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S)-2-(azidomethyl)-5-methyloxolane-3,4-diol
PubChem CID164952403
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name(2S,3S,4S)-2-(azidomethyl)-5-methyloxolane-3,4-diol
SMILESCC1O[C@@H](CN=[N+]=[N-])[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11N3O3/c1-3-5(10)6(11)4(12-3)2-8-9-7/h3-6,10-11H,2H2,1H3/t3?,4-,5+,6+/m0/s1
InChIKeyPPWSKUAEZJKSPO-HVILQDHVSA-N
XLogP-0.19
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze (2S,3S,4S)-2-(azidomethyl)-5-methyloxolane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,6S)-2-(azidomethyl)-6-methyloxane-3,4,5-triol
CID 173482510
(2R,4R)-5-(azidomethyl)oxolane-2,3,4-triol
CID 153454209
(2S,4S,5R)-6-(azidomethyl)oxane-2,3,4,5-tetrol
CID 71165152
(3S,5S)-6-(azidomethyl)oxane-2,3,4,5-tetrol
CID 130471812
2-(azidomethyl)-6-ethyloxane-3,4,5-triol
CID 71122120
(2S,3S,4S,5R,6S)-2-(azidomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101008658
actinium;(3R,4S,5S,6R)-6-(azidomethyl)oxane-2,3,4,5-tetrol
CID 59078250
(2R,3S,4R,5R,6S)-2-(azidomethyl)-6-tert-butyloxane-3,4,5-triol
CID 59078200
(2R,3R,4R,5S)-2-(azidomethyl)-5-methoxyoxolane-3,4-diol
CID 130763721
(2S,3S,4R,6R)-2-(azidomethyl)-6-methyloxane-3,4-diol
CID 139575508
(2R,4S,5S,6R)-2-(azidomethyl)-6-methoxyoxane-3,4,5-triol
CID 91094660
actinium;(6R)-4-azido-2-bromo-6-(hydroxymethyl)oxane-3,5-diol;(2R)-2-(azidomethyl)-6-bromooxane-3,4,5-triol;2-bromo-6-methyloxane-3,4,5-triol
CID 160707784

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-2-(azidomethyl)-5-methyloxolane-3,4-diol?
The IUPAC name of (2S,3S,4S)-2-(azidomethyl)-5-methyloxolane-3,4-diol (CID 164952403) is (2S,3S,4S)-2-(azidomethyl)-5-methyloxolane-3,4-diol.
What is the SMILES notation for (2S,3S,4S)-2-(azidomethyl)-5-methyloxolane-3,4-diol?
The canonical SMILES for (2S,3S,4S)-2-(azidomethyl)-5-methyloxolane-3,4-diol is CC1O[C@@H](CN=[N+]=[N-])[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S)-2-(azidomethyl)-5-methyloxolane-3,4-diol?
The InChIKey is PPWSKUAEZJKSPO-HVILQDHVSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-3-5(10)6(11)4(12-3)2-8-9-7/h3-6,10-11H,2H2,1H3/t3?,4-,5+,6+/m0/s1.
What are the key properties of (2S,3S,4S)-2-(azidomethyl)-5-methyloxolane-3,4-diol?
(2S,3S,4S)-2-(azidomethyl)-5-methyloxolane-3,4-diol has a molecular weight of 173.17 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-2-(azidomethyl)-5-methyloxolane-3,4-diol is sourced from PubChem (CID 164952403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).