(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

C17H30O15 — CID 162916787

About (2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol (PubChem CID 162916787) has the molecular formula C17H30O15 and a molecular weight of 474.41 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol.

Molecular Properties

• Compound Name: (2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
• PubChem CID: 162916787
• Molecular Formula: C17H30O15
• Molecular Weight: 474.41 g/mol
• Exact Mass: 474.16
• IUPAC Name: (2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
• SMILES: OC[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)O[C@@H]2CO)[C@H](O)[C@H]1O
• InChI: InChI=1S/C17H30O15/c18-1-4-7(20)12(25)17(30-4)32-14-5(2-19)31-16(13(26)10(14)23)28-3-6-8(21)9(22)11(24)15(27)29-6/h4-27H,1-3H2/t4-,5+,6+,7-,8-,9-,10+,11+,12+,13+,14-,15+,16+,17-/m0/s1
• InChIKey: WANBUIPHGIHSBH-MJFBYRKVSA-N
• XLogP: -6.93
• TPSA: 248.45 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	474.41
LogP ≤ 5	-6.93
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol?

The IUPAC name of (2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol (CID 162916787) is (2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol.

What is the SMILES notation for (2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol?

The canonical SMILES for (2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol is OC[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)O[C@@H]2CO)[C@H](O)[C@H]1O.

What is the InChIKey of (2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol?

The InChIKey is WANBUIPHGIHSBH-MJFBYRKVSA-N. The full InChI is InChI=1S/C17H30O15/c18-1-4-7(20)12(25)17(30-4)32-14-5(2-19)31-16(13(26)10(14)23)28-3-6-8(21)9(22)11(24)15(27)29-6/h4-27H,1-3H2/t4-,5+,6+,7-,8-,9-,10+,11+,12+,13+,14-,15+,16+,17-/m0/s1.

What are the key properties of (2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol?

(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol has a molecular weight of 474.41 g/mol, XLogP of -6.93, 7 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 162916787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).