methyl 5-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate

C38H47N5O8Si — CID 23844316

About methyl 5-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate

methyl 5-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate (PubChem CID 23844316) has the molecular formula C38H47N5O8Si and a molecular weight of 729.91 g/mol. Its IUPAC name is methyl 5-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate.

Molecular Properties

• Compound Name: methyl 5-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate
• PubChem CID: 23844316
• Molecular Formula: C38H47N5O8Si
• Molecular Weight: 729.91 g/mol
• Exact Mass: 729.32
• IUPAC Name: methyl 5-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate
• SMILES: COC(=O)CCCCN1C(=O)[C@]2(O[C@H](CCn3cc(C(CO)c4ccccc4)nn3)[C@@H]([Si](C)(C)O)[C@@H]2C)c2cc(-n3cccc(OC)c3=O)ccc21
• InChI: InChI=1S/C38H47N5O8Si/c1-25-35(52(4,5)48)32(18-21-41-23-30(39-40-41)28(24-44)26-12-7-6-8-13-26)51-38(25)29-22-27(42-20-11-14-33(49-2)36(42)46)16-17-31(29)43(37(38)47)19-10-9-15-34(45)50-3/h6-8,11-14,16-17,20,22-23,25,28,32,35,44,48H,9-10,15,18-19,21,24H2,1-5H3/t25-,28?,32+,35-,38+/m0/s1
• InChIKey: IWXXBJIMTDSESE-ZTMQAEKFSA-N
• XLogP: 4.14
• TPSA: 158.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.91
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate?

The IUPAC name of methyl 5-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate (CID 23844316) is methyl 5-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate.

What is the SMILES notation for methyl 5-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate?

The canonical SMILES for methyl 5-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate is COC(=O)CCCCN1C(=O)[C@]2(O[C@H](CCn3cc(C(CO)c4ccccc4)nn3)[C@@H]([Si](C)(C)O)[C@@H]2C)c2cc(-n3cccc(OC)c3=O)ccc21.

What is the InChIKey of methyl 5-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate?

The InChIKey is IWXXBJIMTDSESE-ZTMQAEKFSA-N. The full InChI is InChI=1S/C38H47N5O8Si/c1-25-35(52(4,5)48)32(18-21-41-23-30(39-40-41)28(24-44)26-12-7-6-8-13-26)51-38(25)29-22-27(42-20-11-14-33(49-2)36(42)46)16-17-31(29)43(37(38)47)19-10-9-15-34(45)50-3/h6-8,11-14,16-17,20,22-23,25,28,32,35,44,48H,9-10,15,18-19,21,24H2,1-5H3/t25-,28?,32+,35-,38+/m0/s1.

What are the key properties of methyl 5-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate?

methyl 5-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate has a molecular weight of 729.91 g/mol, XLogP of 4.14, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate is sourced from PubChem (CID 23844316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).