[(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5S)-2,3,5-trihydroxyoxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate

C19H32O15 — CID 91845900

About [(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5S)-2,3,5-trihydroxyoxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate

[(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5S)-2,3,5-trihydroxyoxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate (PubChem CID 91845900) has the molecular formula C19H32O15 and a molecular weight of 500.45 g/mol. Its IUPAC name is [(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5S)-2,3,5-trihydroxyoxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate.

Molecular Properties

• Compound Name: [(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5S)-2,3,5-trihydroxyoxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate
• PubChem CID: 91845900
• Molecular Formula: C19H32O15
• Molecular Weight: 500.45 g/mol
• Exact Mass: 500.17
• IUPAC Name: [(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5S)-2,3,5-trihydroxyoxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate
• SMILES: CC(=O)O[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](O)OC[C@@H]3O)O[C@H](CO)[C@H]2O)[C@@H]1O
• InChI: InChI=1S/C19H32O15/c1-5-9(23)15(31-6(2)21)12(26)18(30-5)34-16-10(24)8(3-20)32-19(13(16)27)33-14-7(22)4-29-17(28)11(14)25/h5,7-20,22-28H,3-4H2,1-2H3/t5-,7-,8+,9-,10+,11+,12+,13+,14-,15+,16-,17+,18-,19-/m0/s1
• InChIKey: VQJSXFFQPQYGSR-SJPDXPBXSA-N
• XLogP: -5.34
• TPSA: 234.29 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	500.45
LogP ≤ 5	-5.34
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5S)-2,3,5-trihydroxyoxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate?

The IUPAC name of [(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5S)-2,3,5-trihydroxyoxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate (CID 91845900) is [(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5S)-2,3,5-trihydroxyoxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate.

What is the SMILES notation for [(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5S)-2,3,5-trihydroxyoxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate?

The canonical SMILES for [(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5S)-2,3,5-trihydroxyoxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate is CC(=O)O[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](O)OC[C@@H]3O)O[C@H](CO)[C@H]2O)[C@@H]1O.

What is the InChIKey of [(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5S)-2,3,5-trihydroxyoxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate?

The InChIKey is VQJSXFFQPQYGSR-SJPDXPBXSA-N. The full InChI is InChI=1S/C19H32O15/c1-5-9(23)15(31-6(2)21)12(26)18(30-5)34-16-10(24)8(3-20)32-19(13(16)27)33-14-7(22)4-29-17(28)11(14)25/h5,7-20,22-28H,3-4H2,1-2H3/t5-,7-,8+,9-,10+,11+,12+,13+,14-,15+,16-,17+,18-,19-/m0/s1.

What are the key properties of [(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5S)-2,3,5-trihydroxyoxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate?

[(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5S)-2,3,5-trihydroxyoxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate has a molecular weight of 500.45 g/mol, XLogP of -5.34, 6 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R,4R,5S,6S)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S,5S)-2,3,5-trihydroxyoxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate is sourced from PubChem (CID 91845900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).