(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal

C18H34O17 — CID 87871934

About (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal (PubChem CID 87871934) has the molecular formula C18H34O17 and a molecular weight of 522.45 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal.

Molecular Properties

• Compound Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
• PubChem CID: 87871934
• Molecular Formula: C18H34O17
• Molecular Weight: 522.45 g/mol
• Exact Mass: 522.18
• IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
• SMILES: O=C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C12H22O11.C6H12O6/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17;7-1-3(9)5(11)6(12)4(10)2-8/h3-20H,1-2H2;1,3-6,8-12H,2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-;3-,4-,5-,6-/m11/s1
• InChIKey: MUBMVGCGOYJTSS-ZOYCCJSRSA-N
• XLogP: -8.78
• TPSA: 307.75 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	522.45
LogP ≤ 5	-8.78
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal?

The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal (CID 87871934) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal.

What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal?

The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal is O=C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O.

What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal?

The InChIKey is MUBMVGCGOYJTSS-ZOYCCJSRSA-N. The full InChI is InChI=1S/C12H22O11.C6H12O6/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17;7-1-3(9)5(11)6(12)4(10)2-8/h3-20H,1-2H2;1,3-6,8-12H,2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-;3-,4-,5-,6-/m11/s1.

What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal?

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal has a molecular weight of 522.45 g/mol, XLogP of -8.78, 9 rotatable bonds, 13 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal is sourced from PubChem (CID 87871934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).