(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

C16H28O14 — CID 91847426

About (2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol (PubChem CID 91847426) has the molecular formula C16H28O14 and a molecular weight of 444.39 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol.

Molecular Properties

• Compound Name: (2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
• PubChem CID: 91847426
• Molecular Formula: C16H28O14
• Molecular Weight: 444.39 g/mol
• Exact Mass: 444.15
• IUPAC Name: (2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
• SMILES: O[C@@H]1[C@@H](O)[C@H](O)O[C@H](CO[C@@H]2OC[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H]1O
• InChI: InChI=1S/C16H28O14/c17-4-1-26-16(12(23)7(4)18)30-6-3-28-15(13(24)9(6)20)27-2-5-8(19)10(21)11(22)14(25)29-5/h4-25H,1-3H2/t4-,5-,6+,7+,8-,9+,10+,11-,12-,13-,14-,15-,16+/m1/s1
• InChIKey: DPUCGNOWTNSAQQ-VADBSHKBSA-N
• XLogP: -6.29
• TPSA: 228.22 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	444.39
LogP ≤ 5	-6.29
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of (2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol (CID 91847426) is (2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol.

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

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

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

The InChIKey is DPUCGNOWTNSAQQ-VADBSHKBSA-N. The full InChI is InChI=1S/C16H28O14/c17-4-1-26-16(12(23)7(4)18)30-6-3-28-15(13(24)9(6)20)27-2-5-8(19)10(21)11(22)14(25)29-5/h4-25H,1-3H2/t4-,5-,6+,7+,8-,9+,10+,11-,12-,13-,14-,15-,16+/m1/s1.

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

(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol has a molecular weight of 444.39 g/mol, XLogP of -6.29, 5 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 91847426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).