(2R,3R,4R,5S)-2-(azidomethyl)-5-methoxyoxolane-3,4-diol

C6H11N3O4 — CID 130763721

IUPAC(2R,3R,4R,5S)-2-(azidomethyl)-5-methoxyoxolane-3,4-diol
SMILESCO[C@H]1O[C@H](CN=[N+]=[N-])[C@H](O)[C@H]1O
InChIInChI=1S/C6H11N3O4/c1-12-6-5(11)4(10)3(13-6)2-8-9-7/h3-6,10-11H,2H2,1H3/t3-,4+,5-,6+/m1/s1
InChIKeyKFMNBWIVUMLJKI-MOJAZDJTSA-N
MW189.17 g/mol
LogP-0.61
Rot. Bonds3

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

(2R,3R,4R,5S)-2-(azidomethyl)-5-methoxyoxolane-3,4-diol (PubChem CID 130763721) has the molecular formula C6H11N3O4 and a molecular weight of 189.17 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(azidomethyl)-5-methoxyoxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-(azidomethyl)-5-methoxyoxolane-3,4-diol
PubChem CID130763721
Molecular FormulaC6H11N3O4
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name(2R,3R,4R,5S)-2-(azidomethyl)-5-methoxyoxolane-3,4-diol
SMILESCO[C@H]1O[C@H](CN=[N+]=[N-])[C@H](O)[C@H]1O
InChIInChI=1S/C6H11N3O4/c1-12-6-5(11)4(10)3(13-6)2-8-9-7/h3-6,10-11H,2H2,1H3/t3-,4+,5-,6+/m1/s1
InChIKeyKFMNBWIVUMLJKI-MOJAZDJTSA-N
XLogP-0.61
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.61
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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Related Compounds

(2R,4S,5S,6R)-2-(azidomethyl)-6-methoxyoxane-3,4,5-triol
CID 91094660
(2R,3S,4S,5R,6R)-2-(azidomethyl)-6-[(2R,3R,4S,5S,6R)-6-(azidomethyl)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol
CID 15954113
(3R,4R,6R)-2-(azidomethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 58479315
(3aS,4R,6S,7R,7aR)-4-(azidomethyl)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 25267135
[(2R,4R,5R)-6-(azidomethyl)-3,4,5-trihydroxyoxan-2-yl] dihydrogen phosphate
CID 172641785
(2R,4R)-5-(azidomethyl)oxolane-2,3,4-triol
CID 153454209
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2S,3S,4S)-2-(azidomethyl)-5-methyloxolane-3,4-diol
CID 164952403
(2R,3S,4S,5R,6S)-2-(azidomethyl)-3,4,5,6-tetramethoxyoxane
CID 101153108

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-(azidomethyl)-5-methoxyoxolane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-2-(azidomethyl)-5-methoxyoxolane-3,4-diol (CID 130763721) is (2R,3R,4R,5S)-2-(azidomethyl)-5-methoxyoxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-2-(azidomethyl)-5-methoxyoxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-2-(azidomethyl)-5-methoxyoxolane-3,4-diol is CO[C@H]1O[C@H](CN=[N+]=[N-])[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-2-(azidomethyl)-5-methoxyoxolane-3,4-diol?
The InChIKey is KFMNBWIVUMLJKI-MOJAZDJTSA-N. The full InChI is InChI=1S/C6H11N3O4/c1-12-6-5(11)4(10)3(13-6)2-8-9-7/h3-6,10-11H,2H2,1H3/t3-,4+,5-,6+/m1/s1.
What are the key properties of (2R,3R,4R,5S)-2-(azidomethyl)-5-methoxyoxolane-3,4-diol?
(2R,3R,4R,5S)-2-(azidomethyl)-5-methoxyoxolane-3,4-diol has a molecular weight of 189.17 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-(azidomethyl)-5-methoxyoxolane-3,4-diol is sourced from PubChem (CID 130763721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).