(2R,4S,5S,6R)-2-(azidomethyl)-6-methoxyoxane-3,4,5-triol

C7H13N3O5 — CID 91094660

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

About (2R,4S,5S,6R)-2-(azidomethyl)-6-methoxyoxane-3,4,5-triol

(2R,4S,5S,6R)-2-(azidomethyl)-6-methoxyoxane-3,4,5-triol (PubChem CID 91094660) has the molecular formula C7H13N3O5 and a molecular weight of 219.20 g/mol. Its IUPAC name is (2R,4S,5S,6R)-2-(azidomethyl)-6-methoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,4S,5S,6R)-2-(azidomethyl)-6-methoxyoxane-3,4,5-triol
PubChem CID91094660
Molecular FormulaC7H13N3O5
Molecular Weight219.20 g/mol
Exact Mass219.09
IUPAC Name(2R,4S,5S,6R)-2-(azidomethyl)-6-methoxyoxane-3,4,5-triol
SMILESCO[C@@H]1O[C@H](CN=[N+]=[N-])C(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H13N3O5/c1-14-7-6(13)5(12)4(11)3(15-7)2-9-10-8/h3-7,11-13H,2H2,1H3/t3-,4?,5+,6+,7-/m1/s1
InChIKeyDITZTAYZVSZBCC-HEMMPTCKSA-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,3R,4R,5S)-2-(azidomethyl)-5-methoxyoxolane-3,4-diol
CID 130763721
(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
[(2R,4R,5R)-6-(azidomethyl)-3,4,5-trihydroxyoxan-2-yl] dihydrogen phosphate
CID 172641785
(2R,3S,4R,5S,6R,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 101497446
(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89221036
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(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
(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
(3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 132769952

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S,6R)-2-(azidomethyl)-6-methoxyoxane-3,4,5-triol?
The IUPAC name of (2R,4S,5S,6R)-2-(azidomethyl)-6-methoxyoxane-3,4,5-triol (CID 91094660) is (2R,4S,5S,6R)-2-(azidomethyl)-6-methoxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,4S,5S,6R)-2-(azidomethyl)-6-methoxyoxane-3,4,5-triol?
The canonical SMILES for (2R,4S,5S,6R)-2-(azidomethyl)-6-methoxyoxane-3,4,5-triol is CO[C@@H]1O[C@H](CN=[N+]=[N-])C(O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,4S,5S,6R)-2-(azidomethyl)-6-methoxyoxane-3,4,5-triol?
The InChIKey is DITZTAYZVSZBCC-HEMMPTCKSA-N. The full InChI is InChI=1S/C7H13N3O5/c1-14-7-6(13)5(12)4(11)3(15-7)2-9-10-8/h3-7,11-13H,2H2,1H3/t3-,4?,5+,6+,7-/m1/s1.
What are the key properties of (2R,4S,5S,6R)-2-(azidomethyl)-6-methoxyoxane-3,4,5-triol?
(2R,4S,5S,6R)-2-(azidomethyl)-6-methoxyoxane-3,4,5-triol 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 (2R,4S,5S,6R)-2-(azidomethyl)-6-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 91094660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).