(3R,4S,5R,6R)-2-(2-azidoethoxy)-6-methyloxane-3,4,5-triol

C8H15N3O5 — CID 102073343

IUPAC(3R,4S,5R,6R)-2-(2-azidoethoxy)-6-methyloxane-3,4,5-triol
SMILESC[C@H]1OC(OCCN=[N+]=[N-])[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C8H15N3O5/c1-4-5(12)6(13)7(14)8(16-4)15-3-2-10-11-9/h4-8,12-14H,2-3H2,1H3/t4-,5+,6+,7-,8?/m1/s1
InChIKeyJONLNJKPNQVZQA-XLSKCSLXSA-N
MW233.22 g/mol
LogP-0.86
Rot. Bonds4

About (3R,4S,5R,6R)-2-(2-azidoethoxy)-6-methyloxane-3,4,5-triol

(3R,4S,5R,6R)-2-(2-azidoethoxy)-6-methyloxane-3,4,5-triol (PubChem CID 102073343) has the molecular formula C8H15N3O5 and a molecular weight of 233.22 g/mol. Its IUPAC name is (3R,4S,5R,6R)-2-(2-azidoethoxy)-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name(3R,4S,5R,6R)-2-(2-azidoethoxy)-6-methyloxane-3,4,5-triol
PubChem CID102073343
Molecular FormulaC8H15N3O5
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC Name(3R,4S,5R,6R)-2-(2-azidoethoxy)-6-methyloxane-3,4,5-triol
SMILESC[C@H]1OC(OCCN=[N+]=[N-])[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C8H15N3O5/c1-4-5(12)6(13)7(14)8(16-4)15-3-2-10-11-9/h4-8,12-14H,2-3H2,1H3/t4-,5+,6+,7-,8?/m1/s1
InChIKeyJONLNJKPNQVZQA-XLSKCSLXSA-N
XLogP-0.86
TPSA127.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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,4R,5S,6S)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-6-methyloxane-3,4,5-triol
CID 166045599
(2R,3S,4R,5S,6S)-2-(2-azidoethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 94855039
(2R,3S,5S)-2-(2-azidoethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90070178
9-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynonanoyl azide
CID 100916232
(2R,3S,4R,5S,6S)-2-(2-chloroethoxy)-6-methyloxane-3,4,5-triol
CID 102133392
(2R,3S,4R,5S,6S)-2-(2-bromoethoxy)-6-methyloxane-3,4,5-triol
CID 129411527
2-methyl-6-(2-sulfanylethoxy)oxane-3,4,5-triol
CID 122463656
(2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-6-(2-azidoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10201667
(3S,6R)-2-methyl-6-(3-methylbutoxy)oxane-3,4,5-triol
CID 153067799
(3S,6S)-2-(azidomethyl)-6-methyloxane-3,4,5-triol
CID 173482510
N-[(2R,3R,4R,5R,6R)-2-(2-azidoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;(2R,3R,4S,5S,6R)-2-(2-azidoethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 166771598
(2R,3S,5R)-2-(3-azidopropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71167926

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-2-(2-azidoethoxy)-6-methyloxane-3,4,5-triol?
The IUPAC name of (3R,4S,5R,6R)-2-(2-azidoethoxy)-6-methyloxane-3,4,5-triol (CID 102073343) is (3R,4S,5R,6R)-2-(2-azidoethoxy)-6-methyloxane-3,4,5-triol.
What is the SMILES notation for (3R,4S,5R,6R)-2-(2-azidoethoxy)-6-methyloxane-3,4,5-triol?
The canonical SMILES for (3R,4S,5R,6R)-2-(2-azidoethoxy)-6-methyloxane-3,4,5-triol is C[C@H]1OC(OCCN=[N+]=[N-])[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5R,6R)-2-(2-azidoethoxy)-6-methyloxane-3,4,5-triol?
The InChIKey is JONLNJKPNQVZQA-XLSKCSLXSA-N. The full InChI is InChI=1S/C8H15N3O5/c1-4-5(12)6(13)7(14)8(16-4)15-3-2-10-11-9/h4-8,12-14H,2-3H2,1H3/t4-,5+,6+,7-,8?/m1/s1.
What are the key properties of (3R,4S,5R,6R)-2-(2-azidoethoxy)-6-methyloxane-3,4,5-triol?
(3R,4S,5R,6R)-2-(2-azidoethoxy)-6-methyloxane-3,4,5-triol has a molecular weight of 233.22 g/mol, XLogP of -0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-2-(2-azidoethoxy)-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 102073343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).