2-[2-[7-[2-[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1'-methylspiro[fluorene-9,4'-piperidine]-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4-diol

About 2-[2-[7-[2-[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1'-methylspiro[fluorene-9,4'-piperidine]-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4-diol

2-[2-[7-[2-[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1'-methylspiro[fluorene-9,4'-piperidine]-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4-diol (PubChem CID 134570602) has the molecular formula C34H39NO8 and a molecular weight of 589.69 g/mol. Its IUPAC name is 2-[2-[7-[2-[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1'-methylspiro[fluorene-9,4'-piperidine]-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name	2-[2-[7-[2-[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1'-methylspiro[fluorene-9,4'-piperidine]-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4-diol
PubChem CID	134570602
Molecular Formula	C34H39NO8
Molecular Weight	589.69 g/mol
Exact Mass	589.27
IUPAC Name	2-[2-[7-[2-[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1'-methylspiro[fluorene-9,4'-piperidine]-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4-diol
SMILES	CN1CCC2(CC1)c1cc(C#CC3OC(CO)CC(O)C3O)ccc1-c1ccc(C#CC3OC(CO)CC(O)C3O)cc12
InChI	InChI=1S/C34H39NO8/c1-35-12-10-34(11-13-35)26-14-20(4-8-30-32(40)28(38)16-22(18-36)42-30)2-6-24(26)25-7-3-21(15-27(25)34)5-9-31-33(41)29(39)17-23(19-37)43-31/h2-3,6-7,14-15,22-23,28-33,36-41H,10-13,16-19H2,1H3
InChIKey	UWJBPUCMCYSKTP-UHFFFAOYSA-N
XLogP	0.12
TPSA	143.08 Å²
H-Bond Donors	6
H-Bond Acceptors	9
Rotatable Bonds	2
Heavy Atoms	43
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.69
LogP ≤ 5	0.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[2-[7-[2-[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1'-methylspiro[fluorene-9,4'-piperidine]-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4-diol?

The IUPAC name of 2-[2-[7-[2-[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1'-methylspiro[fluorene-9,4'-piperidine]-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4-diol (CID 134570602) is 2-[2-[7-[2-[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1'-methylspiro[fluorene-9,4'-piperidine]-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4-diol.

What is the SMILES notation for 2-[2-[7-[2-[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1'-methylspiro[fluorene-9,4'-piperidine]-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4-diol?

The canonical SMILES for 2-[2-[7-[2-[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1'-methylspiro[fluorene-9,4'-piperidine]-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4-diol is CN1CCC2(CC1)c1cc(C#CC3OC(CO)CC(O)C3O)ccc1-c1ccc(C#CC3OC(CO)CC(O)C3O)cc12.

What is the InChIKey of 2-[2-[7-[2-[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1'-methylspiro[fluorene-9,4'-piperidine]-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4-diol?

The InChIKey is UWJBPUCMCYSKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39NO8/c1-35-12-10-34(11-13-35)26-14-20(4-8-30-32(40)28(38)16-22(18-36)42-30)2-6-24(26)25-7-3-21(15-27(25)34)5-9-31-33(41)29(39)17-23(19-37)43-31/h2-3,6-7,14-15,22-23,28-33,36-41H,10-13,16-19H2,1H3.

What are the key properties of 2-[2-[7-[2-[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1'-methylspiro[fluorene-9,4'-piperidine]-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4-diol?

2-[2-[7-[2-[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1'-methylspiro[fluorene-9,4'-piperidine]-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 589.69 g/mol, XLogP of 0.12, 2 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[7-[2-[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]-1'-methylspiro[fluorene-9,4'-piperidine]-2-yl]ethynyl]-6-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 134570602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).