2-(hydroxymethyl)-6-[2-[9-hydroxy-9-methyl-7-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]fluoren-2-yl]ethynyl]oxane-3,4,5-triol

C30H32O11 — CID 123230484

About 2-(hydroxymethyl)-6-[2-[9-hydroxy-9-methyl-7-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]fluoren-2-yl]ethynyl]oxane-3,4,5-triol

2-(hydroxymethyl)-6-[2-[9-hydroxy-9-methyl-7-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]fluoren-2-yl]ethynyl]oxane-3,4,5-triol (PubChem CID 123230484) has the molecular formula C30H32O11 and a molecular weight of 568.58 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[2-[9-hydroxy-9-methyl-7-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]fluoren-2-yl]ethynyl]oxane-3,4,5-triol.

Molecular Properties

• Compound Name: 2-(hydroxymethyl)-6-[2-[9-hydroxy-9-methyl-7-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]fluoren-2-yl]ethynyl]oxane-3,4,5-triol
• PubChem CID: 123230484
• Molecular Formula: C30H32O11
• Molecular Weight: 568.58 g/mol
• Exact Mass: 568.19
• IUPAC Name: 2-(hydroxymethyl)-6-[2-[9-hydroxy-9-methyl-7-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]fluoren-2-yl]ethynyl]oxane-3,4,5-triol
• SMILES: CC1(O)c2cc(C#CC3OC(CO)C(O)C(O)C3O)ccc2-c2ccc(C#CC3OC(CO)C(O)C(O)C3O)cc21
• InChI: InChI=1S/C30H32O11/c1-30(39)18-10-14(4-8-20-24(33)28(37)26(35)22(12-31)40-20)2-6-16(18)17-7-3-15(11-19(17)30)5-9-21-25(34)29(38)27(36)23(13-32)41-21/h2-3,6-7,10-11,20-29,31-39H,12-13H2,1H3
• InChIKey: YMBFYQAWCZKMAD-UHFFFAOYSA-N
• XLogP: -2.69
• TPSA: 200.53 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 11
• Rotatable Bonds: 2
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	568.58
LogP ≤ 5	-2.69
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-[2-[9-hydroxy-9-methyl-7-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]fluoren-2-yl]ethynyl]oxane-3,4,5-triol?

The IUPAC name of 2-(hydroxymethyl)-6-[2-[9-hydroxy-9-methyl-7-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]fluoren-2-yl]ethynyl]oxane-3,4,5-triol (CID 123230484) is 2-(hydroxymethyl)-6-[2-[9-hydroxy-9-methyl-7-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]fluoren-2-yl]ethynyl]oxane-3,4,5-triol.

What is the SMILES notation for 2-(hydroxymethyl)-6-[2-[9-hydroxy-9-methyl-7-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]fluoren-2-yl]ethynyl]oxane-3,4,5-triol?

The canonical SMILES for 2-(hydroxymethyl)-6-[2-[9-hydroxy-9-methyl-7-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]fluoren-2-yl]ethynyl]oxane-3,4,5-triol is CC1(O)c2cc(C#CC3OC(CO)C(O)C(O)C3O)ccc2-c2ccc(C#CC3OC(CO)C(O)C(O)C3O)cc21.

What is the InChIKey of 2-(hydroxymethyl)-6-[2-[9-hydroxy-9-methyl-7-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]fluoren-2-yl]ethynyl]oxane-3,4,5-triol?

The InChIKey is YMBFYQAWCZKMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32O11/c1-30(39)18-10-14(4-8-20-24(33)28(37)26(35)22(12-31)40-20)2-6-16(18)17-7-3-15(11-19(17)30)5-9-21-25(34)29(38)27(36)23(13-32)41-21/h2-3,6-7,10-11,20-29,31-39H,12-13H2,1H3.

What are the key properties of 2-(hydroxymethyl)-6-[2-[9-hydroxy-9-methyl-7-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]fluoren-2-yl]ethynyl]oxane-3,4,5-triol?

2-(hydroxymethyl)-6-[2-[9-hydroxy-9-methyl-7-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]fluoren-2-yl]ethynyl]oxane-3,4,5-triol has a molecular weight of 568.58 g/mol, XLogP of -2.69, 2 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(hydroxymethyl)-6-[2-[9-hydroxy-9-methyl-7-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]fluoren-2-yl]ethynyl]oxane-3,4,5-triol is sourced from PubChem (CID 123230484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).