(2R,3S,4R,5S,6R)-5-azido-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol

C8H15N3O4S — CID 102371924

IUPAC(2R,3S,4R,5S,6R)-5-azido-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol
SMILESCCS[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C8H15N3O4S/c1-2-16-8-5(10-11-9)7(14)6(13)4(3-12)15-8/h4-8,12-14H,2-3H2,1H3/t4-,5+,6-,7-,8-/m1/s1
InChIKeyAYRZSNUFRWMSGE-OZRXBMAMSA-N
MW249.29 g/mol
LogP-0.14
Rot. Bonds4

About (2R,3S,4R,5S,6R)-5-azido-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol

(2R,3S,4R,5S,6R)-5-azido-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 102371924) has the molecular formula C8H15N3O4S and a molecular weight of 249.29 g/mol. Its IUPAC name is (2R,3S,4R,5S,6R)-5-azido-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S,6R)-5-azido-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID102371924
Molecular FormulaC8H15N3O4S
Molecular Weight249.29 g/mol
Exact Mass249.08
IUPAC Name(2R,3S,4R,5S,6R)-5-azido-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol
SMILESCCS[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C8H15N3O4S/c1-2-16-8-5(10-11-9)7(14)6(13)4(3-12)15-8/h4-8,12-14H,2-3H2,1H3/t4-,5+,6-,7-,8-/m1/s1
InChIKeyAYRZSNUFRWMSGE-OZRXBMAMSA-N
XLogP-0.14
TPSA118.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 5-0.14
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,5S)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 135080637
(4S,5R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 172641707
(2R,3S,5R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 130197819
(2S,4R)-4-azido-2-[(3R,5R)-4-azido-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol
CID 118679943
(2R,3S,4R,5R)-5-azido-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4-diol
CID 15343435
(2R,3R,4R,5R)-5-amino-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol
CID 130874585
(2S,3R,4R,5R,6R)-3-amino-5-azido-2-ethylsulfanyl-6-methyloxan-4-ol
CID 132527253
(2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 90445154
4-azido-6-(hydroxymethyl)oxane-2,3,5-triol
CID 12775534
(3S,4R,5S,6R)-3,4-diazido-6-(hydroxymethyl)oxane-2,5-diol
CID 10466374
(2R,3S,4R,5R,6R)-6-azido-2-(hydroxymethyl)-5-(propan-2-ylideneamino)oxane-3,4-diol
CID 131844505
(2R,3R,4R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol
CID 124746214

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6R)-5-azido-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5S,6R)-5-azido-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol (CID 102371924) is (2R,3S,4R,5S,6R)-5-azido-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5S,6R)-5-azido-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5S,6R)-5-azido-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol is CCS[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1N=[N+]=[N-].
What is the InChIKey of (2R,3S,4R,5S,6R)-5-azido-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is AYRZSNUFRWMSGE-OZRXBMAMSA-N. The full InChI is InChI=1S/C8H15N3O4S/c1-2-16-8-5(10-11-9)7(14)6(13)4(3-12)15-8/h4-8,12-14H,2-3H2,1H3/t4-,5+,6-,7-,8-/m1/s1.
What are the key properties of (2R,3S,4R,5S,6R)-5-azido-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3S,4R,5S,6R)-5-azido-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 249.29 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6R)-5-azido-6-ethylsulfanyl-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 102371924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).