(2S,3S,5R)-2-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

C18H32O14 — CID 129169260

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

(2S,3S,5R)-2-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol (PubChem CID 129169260) has the molecular formula C18H32O14 and a molecular weight of 472.44 g/mol. Its IUPAC name is (2S,3S,5R)-2-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,3S,5R)-2-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• PubChem CID: 129169260
• Molecular Formula: C18H32O14
• Molecular Weight: 472.44 g/mol
• Exact Mass: 472.18
• IUPAC Name: (2S,3S,5R)-2-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• SMILES: CC1O[C@@H](O[C@@H]2C(CO)O[C@@H](O)[C@@H](O[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O)C2O)[C@@H](O)C(O)[C@H]1O
• InChI: InChI=1S/C18H32O14/c1-4-7(20)9(22)11(24)17(28-4)31-14-6(3-19)30-16(27)15(13(14)26)32-18-12(25)10(23)8(21)5(2)29-18/h4-27H,3H2,1-2H3/t4?,5?,6?,7-,8-,9?,10?,11-,12-,13?,14+,15-,16+,17-,18-/m0/s1
• InChIKey: RNIXKIRFSWLVQV-BJZPMOHQSA-N
• XLogP: -5.52
• TPSA: 228.22 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	472.44
LogP ≤ 5	-5.52
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of (2S,3S,5R)-2-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol (CID 129169260) is (2S,3S,5R)-2-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.

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

The canonical SMILES for (2S,3S,5R)-2-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol is CC1O[C@@H](O[C@@H]2C(CO)O[C@@H](O)[C@@H](O[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O)C2O)[C@@H](O)C(O)[C@H]1O.

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

The InChIKey is RNIXKIRFSWLVQV-BJZPMOHQSA-N. The full InChI is InChI=1S/C18H32O14/c1-4-7(20)9(22)11(24)17(28-4)31-14-6(3-19)30-16(27)15(13(14)26)32-18-12(25)10(23)8(21)5(2)29-18/h4-27H,3H2,1-2H3/t4?,5?,6?,7-,8-,9?,10?,11-,12-,13?,14+,15-,16+,17-,18-/m0/s1.

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

(2S,3S,5R)-2-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol has a molecular weight of 472.44 g/mol, XLogP of -5.52, 5 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,5R)-2-[(3S,5S,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 129169260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).