(3R,4S,5S,6R)-6-(azidomethyl)-3,4,5-trimethoxyoxan-2-ol

C9H17N3O5 — CID 101153112

IUPAC(3R,4S,5S,6R)-6-(azidomethyl)-3,4,5-trimethoxyoxan-2-ol
SMILESCO[C@@H]1[C@H](OC)[C@@H](OC)C(O)O[C@@H]1CN=[N+]=[N-]
InChIInChI=1S/C9H17N3O5/c1-14-6-5(4-11-12-10)17-9(13)8(16-3)7(6)15-2/h5-9,13H,4H2,1-3H3/t5-,6+,7+,8-,9?/m1/s1
InChIKeyMJEHQJIZZOMVSL-MBOVONDJSA-N
MW247.25 g/mol
LogP0.06
Rot. Bonds5

About (3R,4S,5S,6R)-6-(azidomethyl)-3,4,5-trimethoxyoxan-2-ol

(3R,4S,5S,6R)-6-(azidomethyl)-3,4,5-trimethoxyoxan-2-ol (PubChem CID 101153112) has the molecular formula C9H17N3O5 and a molecular weight of 247.25 g/mol. Its IUPAC name is (3R,4S,5S,6R)-6-(azidomethyl)-3,4,5-trimethoxyoxan-2-ol.

Molecular Properties

Compound Name(3R,4S,5S,6R)-6-(azidomethyl)-3,4,5-trimethoxyoxan-2-ol
PubChem CID101153112
Molecular FormulaC9H17N3O5
Molecular Weight247.25 g/mol
Exact Mass247.12
IUPAC Name(3R,4S,5S,6R)-6-(azidomethyl)-3,4,5-trimethoxyoxan-2-ol
SMILESCO[C@@H]1[C@H](OC)[C@@H](OC)C(O)O[C@@H]1CN=[N+]=[N-]
InChIInChI=1S/C9H17N3O5/c1-14-6-5(4-11-12-10)17-9(13)8(16-3)7(6)15-2/h5-9,13H,4H2,1-3H3/t5-,6+,7+,8-,9?/m1/s1
InChIKeyMJEHQJIZZOMVSL-MBOVONDJSA-N
XLogP0.06
TPSA105.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.06
H-Bond Donors ≤ 51
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'}

Analyze (3R,4S,5S,6R)-6-(azidomethyl)-3,4,5-trimethoxyoxan-2-ol with MolForge

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Related Compounds

(2R,3S,4S,5R,6S)-2-(azidomethyl)-3,4,5,6-tetramethoxyoxane
CID 101153108
(2R,3R,4S,5S)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-ol
CID 130904111
(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-ol
CID 131205336
(2S,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
CID 12903172
(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
CID 12903171
(2R,4R)-5-(azidomethyl)oxolane-2,3,4-triol
CID 153454209
(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol;hydrobromide
CID 175363710
(2R,3R,4R,5S)-2-(azidomethyl)-5-methoxyoxolane-3,4-diol
CID 130763721
(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
(2R,4S,5S,6R)-2-(azidomethyl)-6-methoxyoxane-3,4,5-triol
CID 91094660
(2S,3S,4R,5R,6R)-6-(hydroxymethyl)-3,4-dimethoxyoxane-2,5-diol
CID 54319991

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-6-(azidomethyl)-3,4,5-trimethoxyoxan-2-ol?
The IUPAC name of (3R,4S,5S,6R)-6-(azidomethyl)-3,4,5-trimethoxyoxan-2-ol (CID 101153112) is (3R,4S,5S,6R)-6-(azidomethyl)-3,4,5-trimethoxyoxan-2-ol.
What is the SMILES notation for (3R,4S,5S,6R)-6-(azidomethyl)-3,4,5-trimethoxyoxan-2-ol?
The canonical SMILES for (3R,4S,5S,6R)-6-(azidomethyl)-3,4,5-trimethoxyoxan-2-ol is CO[C@@H]1[C@H](OC)[C@@H](OC)C(O)O[C@@H]1CN=[N+]=[N-].
What is the InChIKey of (3R,4S,5S,6R)-6-(azidomethyl)-3,4,5-trimethoxyoxan-2-ol?
The InChIKey is MJEHQJIZZOMVSL-MBOVONDJSA-N. The full InChI is InChI=1S/C9H17N3O5/c1-14-6-5(4-11-12-10)17-9(13)8(16-3)7(6)15-2/h5-9,13H,4H2,1-3H3/t5-,6+,7+,8-,9?/m1/s1.
What are the key properties of (3R,4S,5S,6R)-6-(azidomethyl)-3,4,5-trimethoxyoxan-2-ol?
(3R,4S,5S,6R)-6-(azidomethyl)-3,4,5-trimethoxyoxan-2-ol has a molecular weight of 247.25 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-6-(azidomethyl)-3,4,5-trimethoxyoxan-2-ol is sourced from PubChem (CID 101153112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).