2-[2-[(2R,3R,4S,5R)-4,5-dihydroxy-2-[2-[4-(6-methoxy-3-pyridinyl)phenyl]ethyl]oxolan-3-yl]ethyl]isoindole-1,3-dione;perchloric acid

C28H29ClN2O10 — CID 160823187

About 2-[2-[(2R,3R,4S,5R)-4,5-dihydroxy-2-[2-[4-(6-methoxy-3-pyridinyl)phenyl]ethyl]oxolan-3-yl]ethyl]isoindole-1,3-dione;perchloric acid

2-[2-[(2R,3R,4S,5R)-4,5-dihydroxy-2-[2-[4-(6-methoxy-3-pyridinyl)phenyl]ethyl]oxolan-3-yl]ethyl]isoindole-1,3-dione;perchloric acid (PubChem CID 160823187) has the molecular formula C28H29ClN2O10 and a molecular weight of 589.00 g/mol. Its IUPAC name is 2-[2-[(2R,3R,4S,5R)-4,5-dihydroxy-2-[2-[4-(6-methoxy-3-pyridinyl)phenyl]ethyl]oxolan-3-yl]ethyl]isoindole-1,3-dione;perchloric acid.

Molecular Properties

• Compound Name: 2-[2-[(2R,3R,4S,5R)-4,5-dihydroxy-2-[2-[4-(6-methoxy-3-pyridinyl)phenyl]ethyl]oxolan-3-yl]ethyl]isoindole-1,3-dione;perchloric acid
• PubChem CID: 160823187
• Molecular Formula: C28H29ClN2O10
• Molecular Weight: 589.00 g/mol
• Exact Mass: 588.15
• IUPAC Name: 2-[2-[(2R,3R,4S,5R)-4,5-dihydroxy-2-[2-[4-(6-methoxy-3-pyridinyl)phenyl]ethyl]oxolan-3-yl]ethyl]isoindole-1,3-dione;perchloric acid
• SMILES: COc1ccc(-c2ccc(CC[C@H]3O[C@@H](O)[C@@H](O)[C@H]3CCN3C(=O)c4ccccc4C3=O)cc2)cn1.[O-][Cl+3]([O-])([O-])O
• InChI: InChI=1S/C28H28N2O6.ClHO4/c1-35-24-13-11-19(16-29-24)18-9-6-17(7-10-18)8-12-23-22(25(31)28(34)36-23)14-15-30-26(32)20-4-2-3-5-21(20)27(30)33;2-1(3,4)5/h2-7,9-11,13,16,22-23,25,28,31,34H,8,12,14-15H2,1H3;(H,2,3,4,5)/t22-,23+,25-,28+;/m0./s1
• InChIKey: SFUUSARBPPDNCT-AEFFIDPESA-N
• XLogP: -1.05
• TPSA: 198.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.00
LogP ≤ 5	-1.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R,3R,4S,5R)-4,5-dihydroxy-2-[2-[4-(6-methoxy-3-pyridinyl)phenyl]ethyl]oxolan-3-yl]ethyl]isoindole-1,3-dione;perchloric acid?

The IUPAC name of 2-[2-[(2R,3R,4S,5R)-4,5-dihydroxy-2-[2-[4-(6-methoxy-3-pyridinyl)phenyl]ethyl]oxolan-3-yl]ethyl]isoindole-1,3-dione;perchloric acid (CID 160823187) is 2-[2-[(2R,3R,4S,5R)-4,5-dihydroxy-2-[2-[4-(6-methoxy-3-pyridinyl)phenyl]ethyl]oxolan-3-yl]ethyl]isoindole-1,3-dione;perchloric acid.

What is the SMILES notation for 2-[2-[(2R,3R,4S,5R)-4,5-dihydroxy-2-[2-[4-(6-methoxy-3-pyridinyl)phenyl]ethyl]oxolan-3-yl]ethyl]isoindole-1,3-dione;perchloric acid?

The canonical SMILES for 2-[2-[(2R,3R,4S,5R)-4,5-dihydroxy-2-[2-[4-(6-methoxy-3-pyridinyl)phenyl]ethyl]oxolan-3-yl]ethyl]isoindole-1,3-dione;perchloric acid is COc1ccc(-c2ccc(CC[C@H]3O[C@@H](O)[C@@H](O)[C@H]3CCN3C(=O)c4ccccc4C3=O)cc2)cn1.[O-][Cl+3]([O-])([O-])O.

What is the InChIKey of 2-[2-[(2R,3R,4S,5R)-4,5-dihydroxy-2-[2-[4-(6-methoxy-3-pyridinyl)phenyl]ethyl]oxolan-3-yl]ethyl]isoindole-1,3-dione;perchloric acid?

The InChIKey is SFUUSARBPPDNCT-AEFFIDPESA-N. The full InChI is InChI=1S/C28H28N2O6.ClHO4/c1-35-24-13-11-19(16-29-24)18-9-6-17(7-10-18)8-12-23-22(25(31)28(34)36-23)14-15-30-26(32)20-4-2-3-5-21(20)27(30)33;2-1(3,4)5/h2-7,9-11,13,16,22-23,25,28,31,34H,8,12,14-15H2,1H3;(H,2,3,4,5)/t22-,23+,25-,28+;/m0./s1.

What are the key properties of 2-[2-[(2R,3R,4S,5R)-4,5-dihydroxy-2-[2-[4-(6-methoxy-3-pyridinyl)phenyl]ethyl]oxolan-3-yl]ethyl]isoindole-1,3-dione;perchloric acid?

2-[2-[(2R,3R,4S,5R)-4,5-dihydroxy-2-[2-[4-(6-methoxy-3-pyridinyl)phenyl]ethyl]oxolan-3-yl]ethyl]isoindole-1,3-dione;perchloric acid has a molecular weight of 589.00 g/mol, XLogP of -1.05, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(2R,3R,4S,5R)-4,5-dihydroxy-2-[2-[4-(6-methoxy-3-pyridinyl)phenyl]ethyl]oxolan-3-yl]ethyl]isoindole-1,3-dione;perchloric acid is sourced from PubChem (CID 160823187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).