(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-pyridin-2-ylsulfanyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C17H25NO10S — CID 102282408

About (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-pyridin-2-ylsulfanyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-pyridin-2-ylsulfanyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 102282408) has the molecular formula C17H25NO10S and a molecular weight of 435.45 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-pyridin-2-ylsulfanyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-pyridin-2-ylsulfanyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 102282408
• Molecular Formula: C17H25NO10S
• Molecular Weight: 435.45 g/mol
• Exact Mass: 435.12
• IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-pyridin-2-ylsulfanyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](Sc3ccccn3)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C17H25NO10S/c19-5-7-10(21)12(23)13(24)16(26-7)28-15-11(22)8(6-20)27-17(14(15)25)29-9-3-1-2-4-18-9/h1-4,7-8,10-17,19-25H,5-6H2/t7-,8-,10-,11-,12+,13-,14-,15+,16+,17+/m1/s1
• InChIKey: LUHNKYLOWXAOCF-TYKWTLGWSA-N
• XLogP: -3.20
• TPSA: 182.19 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	435.45
LogP ≤ 5	-3.20
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-pyridin-2-ylsulfanyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-pyridin-2-ylsulfanyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 102282408) is (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-pyridin-2-ylsulfanyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-pyridin-2-ylsulfanyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-pyridin-2-ylsulfanyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](Sc3ccccn3)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.

What is the InChIKey of (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-pyridin-2-ylsulfanyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is LUHNKYLOWXAOCF-TYKWTLGWSA-N. The full InChI is InChI=1S/C17H25NO10S/c19-5-7-10(21)12(23)13(24)16(26-7)28-15-11(22)8(6-20)27-17(14(15)25)29-9-3-1-2-4-18-9/h1-4,7-8,10-17,19-25H,5-6H2/t7-,8-,10-,11-,12+,13-,14-,15+,16+,17+/m1/s1.

What are the key properties of (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-pyridin-2-ylsulfanyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-pyridin-2-ylsulfanyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 435.45 g/mol, XLogP of -3.20, 6 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-pyridin-2-ylsulfanyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 102282408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).