(2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol

C6H11N3O3 — CID 90445154

IUPAC(2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
SMILESC[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C6H11N3O3/c1-3-5(8-9-7)6(11)4(2-10)12-3/h3-6,10-11H,2H2,1H3/t3-,4+,5-,6+/m0/s1
InChIKeyCGBDEWXCIHNTSI-BGPJRJDNSA-N
MW173.17 g/mol
LogP-0.19
Rot. Bonds2

About (2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol

(2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol (PubChem CID 90445154) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is (2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
PubChem CID90445154
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name(2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
SMILESC[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C6H11N3O3/c1-3-5(8-9-7)6(11)4(2-10)12-3/h3-6,10-11H,2H2,1H3/t3-,4+,5-,6+/m0/s1
InChIKeyCGBDEWXCIHNTSI-BGPJRJDNSA-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'}

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Related Compounds

4-azido-6-(hydroxymethyl)oxane-2,3,5-triol
CID 12775534
(3S,4R,5S,6R)-3,4-diazido-6-(hydroxymethyl)oxane-2,5-diol
CID 10466374
(2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 130936452
(2S,4S,5R)-4-azido-2-chloro-6-(hydroxymethyl)oxane-3,5-diol
CID 140821044
(3S,6S)-4-azido-2-(hydroxymethyl)-6-propan-2-yloxane-3,5-diol
CID 70914870
(2R,5S)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 135080637
(4S,5R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 172641707
(2R,3S,5R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 130197819
(2S,4R)-4-azido-2-[(3R,5R)-4-azido-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol
CID 118679943
bis((3S,4R,6R)-4-azido-2-(azidomethyl)-5,6-dimethyloxan-3-ol);(3S,4R)-5-azido-2,6-dimethyloxane-3,4-diol;(3S,4R,6R)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;(3S,4R,6S)-4-azido-2-(hydroxymethyl)-5,6-dimethyloxan-3-ol;bis((3S,4R,6R)-2-(azidomethyl)-5,6-dimethyloxane-3,4-diol);(4R,5S)-3-azido-6-methyloxane-2,4,5-triol;(3S)-2,6-dimethyloxane-3,4,5-triol;(3S,4R,6S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol;methane
CID 159368392
2-(hydroxymethyl)-6-methyl-4-nitrosooxane-3,5-diol
CID 89010600
(2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol
CID 101338794

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol?
The IUPAC name of (2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol (CID 90445154) is (2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol.
What is the SMILES notation for (2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol?
The canonical SMILES for (2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol is C[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1N=[N+]=[N-].
What is the InChIKey of (2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol?
The InChIKey is CGBDEWXCIHNTSI-BGPJRJDNSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-3-5(8-9-7)6(11)4(2-10)12-3/h3-6,10-11H,2H2,1H3/t3-,4+,5-,6+/m0/s1.
What are the key properties of (2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol?
(2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol 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 (2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol is sourced from PubChem (CID 90445154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).