(2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol

C7H13N3O5 — CID 165349660

IUPAC(2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
SMILESCO[C@H]1O[C@H](CO)[C@H](N=[N+]=[N-])[C@H](O)[C@H]1O
InChIInChI=1S/C7H13N3O5/c1-14-7-6(13)5(12)4(9-10-8)3(2-11)15-7/h3-7,11-13H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1
InChIKeyILJSIFPAYLYDDP-PZRMXXKTSA-N
MW219.20 g/mol
LogP-1.25
Rot. Bonds3

About (2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol

(2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol (PubChem CID 165349660) has the molecular formula C7H13N3O5 and a molecular weight of 219.20 g/mol. Its IUPAC name is (2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
PubChem CID165349660
Molecular FormulaC7H13N3O5
Molecular Weight219.20 g/mol
Exact Mass219.09
IUPAC Name(2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
SMILESCO[C@H]1O[C@H](CO)[C@H](N=[N+]=[N-])[C@H](O)[C@H]1O
InChIInChI=1S/C7H13N3O5/c1-14-7-6(13)5(12)4(9-10-8)3(2-11)15-7/h3-7,11-13H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1
InChIKeyILJSIFPAYLYDDP-PZRMXXKTSA-N
XLogP-1.25
TPSA127.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 130936452
[(2R,3R,4S,5S,6S)-5-azido-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 91109049
(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
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(2S,3S,4R,5R,6S,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 90760723
(2R,3R,4S,5R,6R)-2-(hydroxy(113C)methyl)-6-methoxy(2,3-13C2)oxane-3,4,5-triol
CID 101247773
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 160867169
(3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 132769952
(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89221036

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol?
The IUPAC name of (2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol (CID 165349660) is (2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol?
The canonical SMILES for (2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol is CO[C@H]1O[C@H](CO)[C@H](N=[N+]=[N-])[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol?
The InChIKey is ILJSIFPAYLYDDP-PZRMXXKTSA-N. The full InChI is InChI=1S/C7H13N3O5/c1-14-7-6(13)5(12)4(9-10-8)3(2-11)15-7/h3-7,11-13H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol?
(2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol has a molecular weight of 219.20 g/mol, XLogP of -1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol is sourced from PubChem (CID 165349660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).