(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2Z,4Z,6E,8Z)-5,9-dihydroxydeca-2,4,6,8-tetraen-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C22H34O13 — CID 50924923

About (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2Z,4Z,6E,8Z)-5,9-dihydroxydeca-2,4,6,8-tetraen-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2Z,4Z,6E,8Z)-5,9-dihydroxydeca-2,4,6,8-tetraen-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 50924923) has the molecular formula C22H34O13 and a molecular weight of 506.50 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2Z,4Z,6E,8Z)-5,9-dihydroxydeca-2,4,6,8-tetraen-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2Z,4Z,6E,8Z)-5,9-dihydroxydeca-2,4,6,8-tetraen-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 50924923
• Molecular Formula: C22H34O13
• Molecular Weight: 506.50 g/mol
• Exact Mass: 506.20
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2Z,4Z,6E,8Z)-5,9-dihydroxydeca-2,4,6,8-tetraen-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: C/C(O)=C/C=C/C(O)=C/C=C(/C)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
• InChI: InChI=1S/C22H34O13/c1-10(24)4-3-5-12(25)7-6-11(2)33-22-20(31)18(29)16(27)14(35-22)9-32-21-19(30)17(28)15(26)13(8-23)34-21/h3-7,13-31H,8-9H2,1-2H3/b5-3+,10-4-,11-6-,12-7-/t13-,14-,15-,16-,17+,18+,19-,20-,21-,22-/m1/s1
• InChIKey: ZFYUEDNAKUEKTM-UBWMKYSMSA-N
• XLogP: -2.01
• TPSA: 218.99 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	506.50
LogP ≤ 5	-2.01
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2Z,4Z,6E,8Z)-5,9-dihydroxydeca-2,4,6,8-tetraen-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2Z,4Z,6E,8Z)-5,9-dihydroxydeca-2,4,6,8-tetraen-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 50924923) is (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2Z,4Z,6E,8Z)-5,9-dihydroxydeca-2,4,6,8-tetraen-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2Z,4Z,6E,8Z)-5,9-dihydroxydeca-2,4,6,8-tetraen-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2Z,4Z,6E,8Z)-5,9-dihydroxydeca-2,4,6,8-tetraen-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is C/C(O)=C/C=C/C(O)=C/C=C(/C)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.

What is the InChIKey of (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2Z,4Z,6E,8Z)-5,9-dihydroxydeca-2,4,6,8-tetraen-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is ZFYUEDNAKUEKTM-UBWMKYSMSA-N. The full InChI is InChI=1S/C22H34O13/c1-10(24)4-3-5-12(25)7-6-11(2)33-22-20(31)18(29)16(27)14(35-22)9-32-21-19(30)17(28)15(26)13(8-23)34-21/h3-7,13-31H,8-9H2,1-2H3/b5-3+,10-4-,11-6-,12-7-/t13-,14-,15-,16-,17+,18+,19-,20-,21-,22-/m1/s1.

What are the key properties of (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2Z,4Z,6E,8Z)-5,9-dihydroxydeca-2,4,6,8-tetraen-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2Z,4Z,6E,8Z)-5,9-dihydroxydeca-2,4,6,8-tetraen-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 506.50 g/mol, XLogP of -2.01, 9 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2Z,4Z,6E,8Z)-5,9-dihydroxydeca-2,4,6,8-tetraen-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 50924923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).