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

C28H38N2O8Si — CID 23872602

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

methyl 5-[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate (PubChem CID 23872602) has the molecular formula C28H38N2O8Si and a molecular weight of 558.70 g/mol. Its IUPAC name is methyl 5-[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate.

Molecular Properties

• Compound Name: methyl 5-[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate
• PubChem CID: 23872602
• Molecular Formula: C28H38N2O8Si
• Molecular Weight: 558.70 g/mol
• Exact Mass: 558.24
• IUPAC Name: methyl 5-[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-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](CCO)[C@H]([Si](C)(C)O)[C@H]2C)c2cc(-n3cccc(OC)c3=O)ccc21
• InChI: InChI=1S/C28H38N2O8Si/c1-18-25(39(4,5)35)22(13-16-31)38-28(18)20-17-19(29-15-8-9-23(36-2)26(29)33)11-12-21(20)30(27(28)34)14-7-6-10-24(32)37-3/h8-9,11-12,15,17-18,22,25,31,35H,6-7,10,13-14,16H2,1-5H3/t18-,22+,25-,28+/m1/s1
• InChIKey: STLMBCPWNMMPCT-UEKVNFPGSA-N
• XLogP: 2.72
• TPSA: 127.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.70
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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

The IUPAC name of methyl 5-[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate (CID 23872602) is methyl 5-[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-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-[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate?

The canonical SMILES for methyl 5-[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-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](CCO)[C@H]([Si](C)(C)O)[C@H]2C)c2cc(-n3cccc(OC)c3=O)ccc21.

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

The InChIKey is STLMBCPWNMMPCT-UEKVNFPGSA-N. The full InChI is InChI=1S/C28H38N2O8Si/c1-18-25(39(4,5)35)22(13-16-31)38-28(18)20-17-19(29-15-8-9-23(36-2)26(29)33)11-12-21(20)30(27(28)34)14-7-6-10-24(32)37-3/h8-9,11-12,15,17-18,22,25,31,35H,6-7,10,13-14,16H2,1-5H3/t18-,22+,25-,28+/m1/s1.

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

methyl 5-[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate has a molecular weight of 558.70 g/mol, XLogP of 2.72, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]pentanoate is sourced from PubChem (CID 23872602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).