(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxoazocan-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one

C33H43N5O5Si — CID 23844287

About (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxoazocan-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one

(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxoazocan-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one (PubChem CID 23844287) has the molecular formula C33H43N5O5Si and a molecular weight of 617.82 g/mol. Its IUPAC name is (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxoazocan-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one.

Molecular Properties

• Compound Name: (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxoazocan-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one
• PubChem CID: 23844287
• Molecular Formula: C33H43N5O5Si
• Molecular Weight: 617.82 g/mol
• Exact Mass: 617.30
• IUPAC Name: (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxoazocan-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one
• SMILES: C[C@H]1[C@H]([Si](C)(C)O)[C@@H](CCn2cc(CCO)nn2)O[C@]12C(=O)N(c1ccccc1)c1ccc(N3CCCCCCC3=O)cc12
• InChI: InChI=1S/C33H43N5O5Si/c1-23-31(44(2,3)42)29(16-19-36-22-24(17-20-39)34-35-36)43-33(23)27-21-26(37-18-10-5-4-9-13-30(37)40)14-15-28(27)38(32(33)41)25-11-7-6-8-12-25/h6-8,11-12,14-15,21-23,29,31,39,42H,4-5,9-10,13,16-20H2,1-3H3/t23-,29+,31-,33+/m0/s1
• InChIKey: GXFYJIFVMQECHD-FZHAJUINSA-N
• XLogP: 4.68
• TPSA: 121.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	617.82
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxoazocan-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one?

The IUPAC name of (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxoazocan-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one (CID 23844287) is (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxoazocan-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one.

What is the SMILES notation for (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxoazocan-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one?

The canonical SMILES for (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxoazocan-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one is C[C@H]1[C@H]([Si](C)(C)O)[C@@H](CCn2cc(CCO)nn2)O[C@]12C(=O)N(c1ccccc1)c1ccc(N3CCCCCCC3=O)cc12.

What is the InChIKey of (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxoazocan-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one?

The InChIKey is GXFYJIFVMQECHD-FZHAJUINSA-N. The full InChI is InChI=1S/C33H43N5O5Si/c1-23-31(44(2,3)42)29(16-19-36-22-24(17-20-39)34-35-36)43-33(23)27-21-26(37-18-10-5-4-9-13-30(37)40)14-15-28(27)38(32(33)41)25-11-7-6-8-12-25/h6-8,11-12,14-15,21-23,29,31,39,42H,4-5,9-10,13,16-20H2,1-3H3/t23-,29+,31-,33+/m0/s1.

What are the key properties of (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxoazocan-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one?

(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxoazocan-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one has a molecular weight of 617.82 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxoazocan-1-yl)-1-phenylspiro[indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23844287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).