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

C37H46N2O11Si — CID 23845196

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

(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-N-[4-[[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]oxane-2-carboxamide (PubChem CID 23845196) has the molecular formula C37H46N2O11Si and a molecular weight of 722.86 g/mol. Its IUPAC name is (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-N-[4-[[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]oxane-2-carboxamide.

Molecular Properties

• Compound Name: (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-N-[4-[[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]oxane-2-carboxamide
• PubChem CID: 23845196
• Molecular Formula: C37H46N2O11Si
• Molecular Weight: 722.86 g/mol
• Exact Mass: 722.29
• IUPAC Name: (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-N-[4-[[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]oxane-2-carboxamide
• SMILES: COc1ccc([Si](C)(C)[C@@H]2[C@@H](CCO)O[C@]3(C(=O)N(Cc4ccc(NC(=O)[C@H]5O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]5O)cc4)c4ccc(OC)cc43)[C@H]2C)cc1
• InChI: InChI=1S/C37H46N2O11Si/c1-20-33(51(4,5)25-13-10-23(47-2)11-14-25)28(16-17-40)50-37(20)26-18-24(48-3)12-15-27(26)39(36(37)46)19-21-6-8-22(9-7-21)38-34(44)32-30(42)29(41)31(43)35(45)49-32/h6-15,18,20,28-33,35,40-43,45H,16-17,19H2,1-5H3,(H,38,44)/t20-,28+,29-,30-,31+,32-,33-,35+,37+/m0/s1
• InChIKey: RYQBIRFPTDWVHN-PICSHIPCSA-N
• XLogP: 1.59
• TPSA: 187.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	722.86
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

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)-3,4,5,6-tetrahydroxy-N-[4-[[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]oxane-2-carboxamide?

The IUPAC name of (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-N-[4-[[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]oxane-2-carboxamide (CID 23845196) is (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-N-[4-[[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]oxane-2-carboxamide.

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

The canonical SMILES for (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-N-[4-[[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]oxane-2-carboxamide is COc1ccc([Si](C)(C)[C@@H]2[C@@H](CCO)O[C@]3(C(=O)N(Cc4ccc(NC(=O)[C@H]5O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]5O)cc4)c4ccc(OC)cc43)[C@H]2C)cc1.

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

The InChIKey is RYQBIRFPTDWVHN-PICSHIPCSA-N. The full InChI is InChI=1S/C37H46N2O11Si/c1-20-33(51(4,5)25-13-10-23(47-2)11-14-25)28(16-17-40)50-37(20)26-18-24(48-3)12-15-27(26)39(36(37)46)19-21-6-8-22(9-7-21)38-34(44)32-30(42)29(41)31(43)35(45)49-32/h6-15,18,20,28-33,35,40-43,45H,16-17,19H2,1-5H3,(H,38,44)/t20-,28+,29-,30-,31+,32-,33-,35+,37+/m0/s1.

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

(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-N-[4-[[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]oxane-2-carboxamide has a molecular weight of 722.86 g/mol, XLogP of 1.59, 10 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-N-[4-[[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]oxane-2-carboxamide is sourced from PubChem (CID 23845196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).