(2S,3S,4S,5R,6R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-3,4,5,6-tetrahydroxyoxane-2-carboxamide

C36H44N2O10Si — CID 23901683

About (2S,3S,4S,5R,6R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-3,4,5,6-tetrahydroxyoxane-2-carboxamide

(2S,3S,4S,5R,6R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-3,4,5,6-tetrahydroxyoxane-2-carboxamide (PubChem CID 23901683) has the molecular formula C36H44N2O10Si and a molecular weight of 692.84 g/mol. Its IUPAC name is (2S,3S,4S,5R,6R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-3,4,5,6-tetrahydroxyoxane-2-carboxamide.

Molecular Properties

• Compound Name: (2S,3S,4S,5R,6R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-3,4,5,6-tetrahydroxyoxane-2-carboxamide
• PubChem CID: 23901683
• Molecular Formula: C36H44N2O10Si
• Molecular Weight: 692.84 g/mol
• Exact Mass: 692.28
• IUPAC Name: (2S,3S,4S,5R,6R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-3,4,5,6-tetrahydroxyoxane-2-carboxamide
• SMILES: COc1ccc([Si](C)(C)[C@@H]2[C@@H](CCO)O[C@]3(C(=O)N(Cc4ccccc4)c4ccc(NC(=O)[C@H]5O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]5O)cc43)[C@H]2C)cc1
• InChI: InChI=1S/C36H44N2O10Si/c1-20-32(49(3,4)24-13-11-23(46-2)12-14-24)27(16-17-39)48-36(20)25-18-22(37-33(43)31-29(41)28(40)30(42)34(44)47-31)10-15-26(25)38(35(36)45)19-21-8-6-5-7-9-21/h5-15,18,20,27-32,34,39-42,44H,16-17,19H2,1-4H3,(H,37,43)/t20-,27+,28-,29-,30+,31-,32-,34+,36+/m0/s1
• InChIKey: UHKCINHLVKREQT-PZDFWXKPSA-N
• XLogP: 1.58
• TPSA: 178.25 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.84
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-3,4,5,6-tetrahydroxyoxane-2-carboxamide?

The IUPAC name of (2S,3S,4S,5R,6R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-3,4,5,6-tetrahydroxyoxane-2-carboxamide (CID 23901683) is (2S,3S,4S,5R,6R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-3,4,5,6-tetrahydroxyoxane-2-carboxamide.

What is the SMILES notation for (2S,3S,4S,5R,6R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-3,4,5,6-tetrahydroxyoxane-2-carboxamide?

The canonical SMILES for (2S,3S,4S,5R,6R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-3,4,5,6-tetrahydroxyoxane-2-carboxamide is COc1ccc([Si](C)(C)[C@@H]2[C@@H](CCO)O[C@]3(C(=O)N(Cc4ccccc4)c4ccc(NC(=O)[C@H]5O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]5O)cc43)[C@H]2C)cc1.

What is the InChIKey of (2S,3S,4S,5R,6R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-3,4,5,6-tetrahydroxyoxane-2-carboxamide?

The InChIKey is UHKCINHLVKREQT-PZDFWXKPSA-N. The full InChI is InChI=1S/C36H44N2O10Si/c1-20-32(49(3,4)24-13-11-23(46-2)12-14-24)27(16-17-39)48-36(20)25-18-22(37-33(43)31-29(41)28(40)30(42)34(44)47-31)10-15-26(25)38(35(36)45)19-21-8-6-5-7-9-21/h5-15,18,20,27-32,34,39-42,44H,16-17,19H2,1-4H3,(H,37,43)/t20-,27+,28-,29-,30+,31-,32-,34+,36+/m0/s1.

What are the key properties of (2S,3S,4S,5R,6R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-3,4,5,6-tetrahydroxyoxane-2-carboxamide?

(2S,3S,4S,5R,6R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-3,4,5,6-tetrahydroxyoxane-2-carboxamide has a molecular weight of 692.84 g/mol, XLogP of 1.58, 9 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4S,5R,6R)-N-[(3R,3'R,4'S,5'R)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-3,4,5,6-tetrahydroxyoxane-2-carboxamide is sourced from PubChem (CID 23901683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).