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

C18H32O15 — CID 171601689

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

(2S,4S,5S)-2-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol (PubChem CID 171601689) has the molecular formula C18H32O15 and a molecular weight of 488.44 g/mol. Its IUPAC name is (2S,4S,5S)-2-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,4S,5S)-2-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• PubChem CID: 171601689
• Molecular Formula: C18H32O15
• Molecular Weight: 488.44 g/mol
• Exact Mass: 488.17
• IUPAC Name: (2S,4S,5S)-2-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• SMILES: CC1O[C@@H](O[C@H]2C(O)[C@@H](O)C(CO)O[C@H]2O[C@H]2C(O)C(O)[C@H](O)O[C@H]2CO)C(O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C18H32O15/c1-4-7(21)9(23)13(27)17(29-4)33-15-10(24)8(22)5(2-19)31-18(15)32-14-6(3-20)30-16(28)12(26)11(14)25/h4-28H,2-3H2,1H3/t4?,5?,6-,7+,8-,9-,10?,11?,12?,13?,14+,15-,16+,17-,18-/m0/s1
• InChIKey: SNFSYLYCDAVZGP-FSHODVOGSA-N
• XLogP: -6.55
• TPSA: 248.45 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	488.44
LogP ≤ 5	-6.55
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of (2S,4S,5S)-2-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol (CID 171601689) is (2S,4S,5S)-2-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.

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

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

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

The InChIKey is SNFSYLYCDAVZGP-FSHODVOGSA-N. The full InChI is InChI=1S/C18H32O15/c1-4-7(21)9(23)13(27)17(29-4)33-15-10(24)8(22)5(2-19)31-18(15)32-14-6(3-20)30-16(28)12(26)11(14)25/h4-28H,2-3H2,1H3/t4?,5?,6-,7+,8-,9-,10?,11?,12?,13?,14+,15-,16+,17-,18-/m0/s1.

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

(2S,4S,5S)-2-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol has a molecular weight of 488.44 g/mol, XLogP of -6.55, 6 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S,5S)-2-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 171601689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).