(2R,3R,4R,5R)-2-(hydroxymethyl)-4,5-bis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol

C18H32O15 — CID 57076968

About (2R,3R,4R,5R)-2-(hydroxymethyl)-4,5-bis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol

(2R,3R,4R,5R)-2-(hydroxymethyl)-4,5-bis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol (PubChem CID 57076968) has the molecular formula C18H32O15 and a molecular weight of 488.44 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(hydroxymethyl)-4,5-bis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3R,4R,5R)-2-(hydroxymethyl)-4,5-bis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
• PubChem CID: 57076968
• Molecular Formula: C18H32O15
• Molecular Weight: 488.44 g/mol
• Exact Mass: 488.17
• IUPAC Name: (2R,3R,4R,5R)-2-(hydroxymethyl)-4,5-bis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
• SMILES: OC[C@H]1O[C@@H]([C@]2(O)CO[C@H](CO)[C@@H](O)[C@@]2(O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)C2O)[C@H](O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C18H32O15/c19-1-5-8(22)10(24)12(26)15(32-5)17(29)4-31-7(3-21)14(28)18(17,30)16-13(27)11(25)9(23)6(2-20)33-16/h5-16,19-30H,1-4H2/t5-,6-,7-,8-,9-,10+,11+,12-,13?,14-,15-,16-,17-,18-/m1/s1
• InChIKey: AVFXYFWEPIBXFL-UOWYRDSJSA-N
• XLogP: -8.11
• TPSA: 270.45 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 15
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	488.44
LogP ≤ 5	-8.11
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of (2R,3R,4R,5R)-2-(hydroxymethyl)-4,5-bis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol (CID 57076968) is (2R,3R,4R,5R)-2-(hydroxymethyl)-4,5-bis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol.

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

The canonical SMILES for (2R,3R,4R,5R)-2-(hydroxymethyl)-4,5-bis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol is OC[C@H]1O[C@@H]([C@]2(O)CO[C@H](CO)[C@@H](O)[C@@]2(O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)C2O)[C@H](O)[C@@H](O)[C@@H]1O.

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

The InChIKey is AVFXYFWEPIBXFL-UOWYRDSJSA-N. The full InChI is InChI=1S/C18H32O15/c19-1-5-8(22)10(24)12(26)15(32-5)17(29)4-31-7(3-21)14(28)18(17,30)16-13(27)11(25)9(23)6(2-20)33-16/h5-16,19-30H,1-4H2/t5-,6-,7-,8-,9-,10+,11+,12-,13?,14-,15-,16-,17-,18-/m1/s1.

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

(2R,3R,4R,5R)-2-(hydroxymethyl)-4,5-bis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol has a molecular weight of 488.44 g/mol, XLogP of -8.11, 5 rotatable bonds, 12 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5R)-2-(hydroxymethyl)-4,5-bis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol is sourced from PubChem (CID 57076968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).