(2S,3S,4R,5S,6S)-2-azido-6-methyloxane-2,3,4,5-tetrol

C6H11N3O5 — CID 90974645

IUPAC(2S,3S,4R,5S,6S)-2-azido-6-methyloxane-2,3,4,5-tetrol
SMILESC[C@@H]1O[C@](O)(N=[N+]=[N-])[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H11N3O5/c1-2-3(10)4(11)5(12)6(13,14-2)8-9-7/h2-5,10-13H,1H3/t2-,3+,4+,5-,6-/m0/s1
InChIKeyCXIGFXHZNYNHDP-KGJVWPDLSA-N
MW205.17 g/mol
LogP-1.56
Rot. Bonds1

About (2S,3S,4R,5S,6S)-2-azido-6-methyloxane-2,3,4,5-tetrol

(2S,3S,4R,5S,6S)-2-azido-6-methyloxane-2,3,4,5-tetrol (PubChem CID 90974645) has the molecular formula C6H11N3O5 and a molecular weight of 205.17 g/mol. Its IUPAC name is (2S,3S,4R,5S,6S)-2-azido-6-methyloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3S,4R,5S,6S)-2-azido-6-methyloxane-2,3,4,5-tetrol
PubChem CID90974645
Molecular FormulaC6H11N3O5
Molecular Weight205.17 g/mol
Exact Mass205.07
IUPAC Name(2S,3S,4R,5S,6S)-2-azido-6-methyloxane-2,3,4,5-tetrol
SMILESC[C@@H]1O[C@](O)(N=[N+]=[N-])[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H11N3O5/c1-2-3(10)4(11)5(12)6(13,14-2)8-9-7/h2-5,10-13H,1H3/t2-,3+,4+,5-,6-/m0/s1
InChIKeyCXIGFXHZNYNHDP-KGJVWPDLSA-N
XLogP-1.56
TPSA138.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-1.56
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

(3S,5S)-6-methyloxane-2,2,3,4,5-pentol
CID 129203156
[fluoro-[(2S,3R,4R,5R,6S)-2,3,4,5-tetrahydroxy-6-methyloxan-2-yl]methyl]-trioxidophosphanium
CID 102592891
(2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-methyloxane-2-sulfonic acid
CID 166133374
(2S,3S,4S)-2-(azidomethyl)-5-methyloxolane-3,4-diol
CID 164952403
(5S,6R,7R,8R)-5-methyl-4-oxaspiro[2.5]octane-2,6,7,8-tetrol
CID 145429784
(3S,6S)-2-(azidomethyl)-6-methyloxane-3,4,5-triol
CID 173482510
methyl (2S,3R,4S,5S,6R)-2-azido-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxylate
CID 11694592
(3R,4S,5R,6R)-3-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 175255242
(2S,3R,4S,5R,6R)-2-azido-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carbonitrile
CID 100962429
(2S,4R,5S)-2-methoxy-2,3,6-trimethyloxane-3,4,5-triol
CID 70800080
(2S,3R,4R,5S,6R)-5-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 90707173
(2R,3S,4R,5S,6S)-2-ethoxy-6-methyl-2-sulfanyloxane-3,4,5-triol
CID 174689500

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S,6S)-2-azido-6-methyloxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3S,4R,5S,6S)-2-azido-6-methyloxane-2,3,4,5-tetrol (CID 90974645) is (2S,3S,4R,5S,6S)-2-azido-6-methyloxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3S,4R,5S,6S)-2-azido-6-methyloxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3S,4R,5S,6S)-2-azido-6-methyloxane-2,3,4,5-tetrol is C[C@@H]1O[C@](O)(N=[N+]=[N-])[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5S,6S)-2-azido-6-methyloxane-2,3,4,5-tetrol?
The InChIKey is CXIGFXHZNYNHDP-KGJVWPDLSA-N. The full InChI is InChI=1S/C6H11N3O5/c1-2-3(10)4(11)5(12)6(13,14-2)8-9-7/h2-5,10-13H,1H3/t2-,3+,4+,5-,6-/m0/s1.
What are the key properties of (2S,3S,4R,5S,6S)-2-azido-6-methyloxane-2,3,4,5-tetrol?
(2S,3S,4R,5S,6S)-2-azido-6-methyloxane-2,3,4,5-tetrol has a molecular weight of 205.17 g/mol, XLogP of -1.56, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S,6S)-2-azido-6-methyloxane-2,3,4,5-tetrol is sourced from PubChem (CID 90974645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).