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

C13H24O11 — CID 56632603

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

(2S,3R,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 56632603) has the molecular formula C13H24O11 and a molecular weight of 356.32 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

• Compound Name: (2S,3R,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
• PubChem CID: 56632603
• Molecular Formula: C13H24O11
• Molecular Weight: 356.32 g/mol
• Exact Mass: 356.13
• IUPAC Name: (2S,3R,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
• SMILES: CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)O[C@@H]1CO
• InChI: InChI=1S/C13H24O11/c1-21-10-5(3-15)23-13(9(19)8(10)18)24-11-7(17)6(16)4(2-14)22-12(11)20/h4-20H,2-3H2,1H3/t4-,5-,6-,7+,8-,9-,10-,11-,12+,13-/m1/s1
• InChIKey: ATCXMDSYBJUPKB-GQMWFRSDSA-N
• XLogP: -4.74
• TPSA: 178.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	356.32
LogP ≤ 5	-4.74
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of (2S,3R,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol (CID 56632603) is (2S,3R,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol.

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

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

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

The InChIKey is ATCXMDSYBJUPKB-GQMWFRSDSA-N. The full InChI is InChI=1S/C13H24O11/c1-21-10-5(3-15)23-13(9(19)8(10)18)24-11-7(17)6(16)4(2-14)22-12(11)20/h4-20H,2-3H2,1H3/t4-,5-,6-,7+,8-,9-,10-,11-,12+,13-/m1/s1.

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

(2S,3R,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol has a molecular weight of 356.32 g/mol, XLogP of -4.74, 5 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 56632603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).