(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal

C18H32O16 — CID 121434252

About (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal

(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal (PubChem CID 121434252) has the molecular formula C18H32O16 and a molecular weight of 504.44 g/mol. Its IUPAC name is (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal.

Molecular Properties

• Compound Name: (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal
• PubChem CID: 121434252
• Molecular Formula: C18H32O16
• Molecular Weight: 504.44 g/mol
• Exact Mass: 504.17
• IUPAC Name: (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal
• SMILES: O=C[C@H](O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)[C@@H](O)[C@H](O)[C@H](O)CO
• InChI: InChI=1S/C18H32O16/c19-1-5(22)9(23)10(24)6(2-20)33-18-16(30)14(28)12(26)8(34-18)4-31-17-15(29)13(27)11(25)7(3-21)32-17/h2,5-19,21-30H,1,3-4H2/t5-,6+,7-,8-,9-,10-,11+,12-,13+,14+,15-,16+,17-,18+/m1/s1
• InChIKey: ZLQSFHGQLIXSJM-PCHZZLLPSA-N
• XLogP: -7.73
• TPSA: 276.52 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	504.44
LogP ≤ 5	-7.73
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal?

The IUPAC name of (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal (CID 121434252) is (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal.

What is the SMILES notation for (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal?

The canonical SMILES for (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal is O=C[C@H](O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)[C@@H](O)[C@H](O)[C@H](O)CO.

What is the InChIKey of (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal?

The InChIKey is ZLQSFHGQLIXSJM-PCHZZLLPSA-N. The full InChI is InChI=1S/C18H32O16/c19-1-5(22)9(23)10(24)6(2-20)33-18-16(30)14(28)12(26)8(34-18)4-31-17-15(29)13(27)11(25)7(3-21)32-17/h2,5-19,21-30H,1,3-4H2/t5-,6+,7-,8-,9-,10-,11+,12-,13+,14+,15-,16+,17-,18+/m1/s1.

What are the key properties of (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal?

(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal has a molecular weight of 504.44 g/mol, XLogP of -7.73, 11 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal is sourced from PubChem (CID 121434252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).