(2R,3R,4R)-6-(hydroxymethyl)-2-[(2R,3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol

C12H20O11 — CID 140981846

About (2R,3R,4R)-6-(hydroxymethyl)-2-[(2R,3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol

(2R,3R,4R)-6-(hydroxymethyl)-2-[(2R,3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol (PubChem CID 140981846) has the molecular formula C12H20O11 and a molecular weight of 340.28 g/mol. Its IUPAC name is (2R,3R,4R)-6-(hydroxymethyl)-2-[(2R,3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3R,4R)-6-(hydroxymethyl)-2-[(2R,3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol
• PubChem CID: 140981846
• Molecular Formula: C12H20O11
• Molecular Weight: 340.28 g/mol
• Exact Mass: 340.10
• IUPAC Name: (2R,3R,4R)-6-(hydroxymethyl)-2-[(2R,3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol
• SMILES: OCC1=C(O)[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)C(O)C(O)O[C@@H]2CO)O1
• InChI: InChI=1S/C12H20O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h4,6-20H,1-2H2/t4-,6+,7-,8?,9-,10-,11?,12+/m1/s1
• InChIKey: LZJWYLPSQLKTHZ-DJHCVTAVSA-N
• XLogP: -4.36
• TPSA: 189.53 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	340.28
LogP ≤ 5	-4.36
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-6-(hydroxymethyl)-2-[(2R,3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol?

The IUPAC name of (2R,3R,4R)-6-(hydroxymethyl)-2-[(2R,3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol (CID 140981846) is (2R,3R,4R)-6-(hydroxymethyl)-2-[(2R,3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol.

What is the SMILES notation for (2R,3R,4R)-6-(hydroxymethyl)-2-[(2R,3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol?

The canonical SMILES for (2R,3R,4R)-6-(hydroxymethyl)-2-[(2R,3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol is OCC1=C(O)[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)C(O)C(O)O[C@@H]2CO)O1.

What is the InChIKey of (2R,3R,4R)-6-(hydroxymethyl)-2-[(2R,3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol?

The InChIKey is LZJWYLPSQLKTHZ-DJHCVTAVSA-N. The full InChI is InChI=1S/C12H20O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h4,6-20H,1-2H2/t4-,6+,7-,8?,9-,10-,11?,12+/m1/s1.

What are the key properties of (2R,3R,4R)-6-(hydroxymethyl)-2-[(2R,3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol?

(2R,3R,4R)-6-(hydroxymethyl)-2-[(2R,3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol has a molecular weight of 340.28 g/mol, XLogP of -4.36, 4 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R)-6-(hydroxymethyl)-2-[(2R,3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol is sourced from PubChem (CID 140981846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).