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

C17H30O14 — CID 162845400

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

(2S,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4R,5R)-2,4,5-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol (PubChem CID 162845400) has the molecular formula C17H30O14 and a molecular weight of 458.41 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4R,5R)-2,4,5-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4R,5R)-2,4,5-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• PubChem CID: 162845400
• Molecular Formula: C17H30O14
• Molecular Weight: 458.41 g/mol
• Exact Mass: 458.16
• IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4R,5R)-2,4,5-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• SMILES: C[C@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)CO[C@@H]3O)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C17H30O14/c1-4-7(20)10(23)12(25)16(28-4)31-14-11(24)9(22)6(2-18)29-17(14)30-13-8(21)5(19)3-27-15(13)26/h4-26H,2-3H2,1H3/t4-,5-,6-,7-,8-,9+,10+,11-,12-,13+,14-,15+,16+,17+/m1/s1
• InChIKey: DPTWUYFOEZBIEX-SPEBIZLISA-N
• XLogP: -5.91
• TPSA: 228.22 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	458.41
LogP ≤ 5	-5.91
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of (2S,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4R,5R)-2,4,5-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol (CID 162845400) is (2S,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4R,5R)-2,4,5-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.

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

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

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

The InChIKey is DPTWUYFOEZBIEX-SPEBIZLISA-N. The full InChI is InChI=1S/C17H30O14/c1-4-7(20)10(23)12(25)16(28-4)31-14-11(24)9(22)6(2-18)29-17(14)30-13-8(21)5(19)3-27-15(13)26/h4-26H,2-3H2,1H3/t4-,5-,6-,7-,8-,9+,10+,11-,12-,13+,14-,15+,16+,17+/m1/s1.

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

(2S,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4R,5R)-2,4,5-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol has a molecular weight of 458.41 g/mol, XLogP of -5.91, 5 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,4R,5R)-2,4,5-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 162845400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).