(3S,5S)-6-(azidomethyl)oxane-2,3,4,5-tetrol

C6H11N3O5 — CID 130471812

IUPAC(3S,5S)-6-(azidomethyl)oxane-2,3,4,5-tetrol
SMILES[N-]=[N+]=NCC1OC(O)[C@@H](O)C(O)[C@@H]1O
InChIInChI=1S/C6H11N3O5/c7-9-8-1-2-3(10)4(11)5(12)6(13)14-2/h2-6,10-13H,1H2/t2?,3-,4?,5+,6?/m1/s1
InChIKeyCMLRUUHRGSJVMD-CMTIFBIWSA-N
MW205.17 g/mol
LogP-1.90
Rot. Bonds2

About (3S,5S)-6-(azidomethyl)oxane-2,3,4,5-tetrol

(3S,5S)-6-(azidomethyl)oxane-2,3,4,5-tetrol (PubChem CID 130471812) has the molecular formula C6H11N3O5 and a molecular weight of 205.17 g/mol. Its IUPAC name is (3S,5S)-6-(azidomethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3S,5S)-6-(azidomethyl)oxane-2,3,4,5-tetrol
PubChem CID130471812
Molecular FormulaC6H11N3O5
Molecular Weight205.17 g/mol
Exact Mass205.07
IUPAC Name(3S,5S)-6-(azidomethyl)oxane-2,3,4,5-tetrol
SMILES[N-]=[N+]=NCC1OC(O)[C@@H](O)C(O)[C@@H]1O
InChIInChI=1S/C6H11N3O5/c7-9-8-1-2-3(10)4(11)5(12)6(13)14-2/h2-6,10-13H,1H2/t2?,3-,4?,5+,6?/m1/s1
InChIKeyCMLRUUHRGSJVMD-CMTIFBIWSA-N
XLogP-1.90
TPSA138.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
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

(2S,4S,5R)-6-(azidomethyl)oxane-2,3,4,5-tetrol
CID 71165152
actinium;(3R,4S,5S,6R)-6-(azidomethyl)oxane-2,3,4,5-tetrol
CID 59078250
(2R,4R)-5-(azidomethyl)oxolane-2,3,4-triol
CID 153454209
(2S,3S,4S,5R,6S)-2-(azidomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101008658
2-(azidomethyl)-6-ethyloxane-3,4,5-triol
CID 71122120
(3S,6S)-2-(azidomethyl)-6-methyloxane-3,4,5-triol
CID 173482510
(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
(2S,3R,4R,5S,6S)-4-azido-6-(azidomethyl)oxane-2,3,5-triol
CID 124636003
(2S,3S,4S)-2-(azidomethyl)-5-methyloxolane-3,4-diol
CID 164952403
(2R,3S,4R,5R,6S)-2-(azidomethyl)-6-tert-butyloxane-3,4,5-triol
CID 59078200
(2R,4S,5S,6R)-2-(azidomethyl)-6-methoxyoxane-3,4,5-triol
CID 91094660
(2R,3R,4R,5S)-2-(azidomethyl)-5-methoxyoxolane-3,4-diol
CID 130763721

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-6-(azidomethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (3S,5S)-6-(azidomethyl)oxane-2,3,4,5-tetrol (CID 130471812) is (3S,5S)-6-(azidomethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (3S,5S)-6-(azidomethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (3S,5S)-6-(azidomethyl)oxane-2,3,4,5-tetrol is [N-]=[N+]=NCC1OC(O)[C@@H](O)C(O)[C@@H]1O.
What is the InChIKey of (3S,5S)-6-(azidomethyl)oxane-2,3,4,5-tetrol?
The InChIKey is CMLRUUHRGSJVMD-CMTIFBIWSA-N. The full InChI is InChI=1S/C6H11N3O5/c7-9-8-1-2-3(10)4(11)5(12)6(13)14-2/h2-6,10-13H,1H2/t2?,3-,4?,5+,6?/m1/s1.
What are the key properties of (3S,5S)-6-(azidomethyl)oxane-2,3,4,5-tetrol?
(3S,5S)-6-(azidomethyl)oxane-2,3,4,5-tetrol has a molecular weight of 205.17 g/mol, XLogP of -1.90, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-6-(azidomethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 130471812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).