(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-[2-[4-[2-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]phenyl]propan-2-yl]phenyl]ethynyl]oxane-3,4,5-triol

C31H36O10 — CID 144652743

About (2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-[2-[4-[2-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]phenyl]propan-2-yl]phenyl]ethynyl]oxane-3,4,5-triol

(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-[2-[4-[2-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]phenyl]propan-2-yl]phenyl]ethynyl]oxane-3,4,5-triol (PubChem CID 144652743) has the molecular formula C31H36O10 and a molecular weight of 568.62 g/mol. Its IUPAC name is (2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-[2-[4-[2-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]phenyl]propan-2-yl]phenyl]ethynyl]oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-[2-[4-[2-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]phenyl]propan-2-yl]phenyl]ethynyl]oxane-3,4,5-triol
• PubChem CID: 144652743
• Molecular Formula: C31H36O10
• Molecular Weight: 568.62 g/mol
• Exact Mass: 568.23
• IUPAC Name: (2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-[2-[4-[2-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]phenyl]propan-2-yl]phenyl]ethynyl]oxane-3,4,5-triol
• SMILES: CC(C)(c1ccc(C#C[C@H]2O[C@H](CO)[C@@H](O)C(O)C2O)cc1)c1ccc(C#C[C@H]2O[C@H](CO)[C@@H](O)C(O)C2O)cc1
• InChI: InChI=1S/C31H36O10/c1-31(2,19-9-3-17(4-10-19)7-13-21-25(34)29(38)27(36)23(15-32)40-21)20-11-5-18(6-12-20)8-14-22-26(35)30(39)28(37)24(16-33)41-22/h3-6,9-12,21-30,32-39H,15-16H2,1-2H3/t21-,22-,23-,24-,25?,26?,27-,28-,29?,30?/m1/s1
• InChIKey: VJDWVRDEOXVPKY-IPIWFWTESA-N
• XLogP: -1.60
• TPSA: 180.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.62
LogP ≤ 5	-1.60
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-[2-[4-[2-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]phenyl]propan-2-yl]phenyl]ethynyl]oxane-3,4,5-triol?

The IUPAC name of (2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-[2-[4-[2-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]phenyl]propan-2-yl]phenyl]ethynyl]oxane-3,4,5-triol (CID 144652743) is (2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-[2-[4-[2-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]phenyl]propan-2-yl]phenyl]ethynyl]oxane-3,4,5-triol.

What is the SMILES notation for (2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-[2-[4-[2-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]phenyl]propan-2-yl]phenyl]ethynyl]oxane-3,4,5-triol?

The canonical SMILES for (2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-[2-[4-[2-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]phenyl]propan-2-yl]phenyl]ethynyl]oxane-3,4,5-triol is CC(C)(c1ccc(C#C[C@H]2O[C@H](CO)[C@@H](O)C(O)C2O)cc1)c1ccc(C#C[C@H]2O[C@H](CO)[C@@H](O)C(O)C2O)cc1.

What is the InChIKey of (2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-[2-[4-[2-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]phenyl]propan-2-yl]phenyl]ethynyl]oxane-3,4,5-triol?

The InChIKey is VJDWVRDEOXVPKY-IPIWFWTESA-N. The full InChI is InChI=1S/C31H36O10/c1-31(2,19-9-3-17(4-10-19)7-13-21-25(34)29(38)27(36)23(15-32)40-21)20-11-5-18(6-12-20)8-14-22-26(35)30(39)28(37)24(16-33)41-22/h3-6,9-12,21-30,32-39H,15-16H2,1-2H3/t21-,22-,23-,24-,25?,26?,27-,28-,29?,30?/m1/s1.

What are the key properties of (2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-[2-[4-[2-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]phenyl]propan-2-yl]phenyl]ethynyl]oxane-3,4,5-triol?

(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-[2-[4-[2-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]phenyl]propan-2-yl]phenyl]ethynyl]oxane-3,4,5-triol has a molecular weight of 568.62 g/mol, XLogP of -1.60, 4 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-[2-[4-[2-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]phenyl]propan-2-yl]phenyl]ethynyl]oxane-3,4,5-triol is sourced from PubChem (CID 144652743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).