[(2S,3S,4R,5R,6S)-6-[2-[1-(benzenesulfonyl)indol-3-yl]ethoxy]-3,4-bis(phenylmethoxy)-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol

C45H57NO8SSi — CID 10629152

About [(2S,3S,4R,5R,6S)-6-[2-[1-(benzenesulfonyl)indol-3-yl]ethoxy]-3,4-bis(phenylmethoxy)-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol

[(2S,3S,4R,5R,6S)-6-[2-[1-(benzenesulfonyl)indol-3-yl]ethoxy]-3,4-bis(phenylmethoxy)-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol (PubChem CID 10629152) has the molecular formula C45H57NO8SSi and a molecular weight of 800.10 g/mol. Its IUPAC name is [(2S,3S,4R,5R,6S)-6-[2-[1-(benzenesulfonyl)indol-3-yl]ethoxy]-3,4-bis(phenylmethoxy)-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol.

Molecular Properties

• Compound Name: [(2S,3S,4R,5R,6S)-6-[2-[1-(benzenesulfonyl)indol-3-yl]ethoxy]-3,4-bis(phenylmethoxy)-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol
• PubChem CID: 10629152
• Molecular Formula: C45H57NO8SSi
• Molecular Weight: 800.10 g/mol
• Exact Mass: 799.36
• IUPAC Name: [(2S,3S,4R,5R,6S)-6-[2-[1-(benzenesulfonyl)indol-3-yl]ethoxy]-3,4-bis(phenylmethoxy)-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol
• SMILES: CC(C)[Si](O[C@H]1[C@@H](OCCc2cn(S(=O)(=O)c3ccccc3)c3ccccc23)O[C@@H](CO)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)(C(C)C)C(C)C
• InChI: InChI=1S/C45H57NO8SSi/c1-32(2)56(33(3)4,34(5)6)54-44-43(52-31-36-20-12-8-13-21-36)42(51-30-35-18-10-7-11-19-35)41(29-47)53-45(44)50-27-26-37-28-46(40-25-17-16-24-39(37)40)55(48,49)38-22-14-9-15-23-38/h7-25,28,32-34,41-45,47H,26-27,29-31H2,1-6H3/t41-,42-,43+,44+,45-/m0/s1
• InChIKey: GUHRVDUXDNVDQB-KFHNVMNZSA-N
• XLogP: 8.89
• TPSA: 105.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	800.10
LogP ≤ 5	8.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R,5R,6S)-6-[2-[1-(benzenesulfonyl)indol-3-yl]ethoxy]-3,4-bis(phenylmethoxy)-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol?

The IUPAC name of [(2S,3S,4R,5R,6S)-6-[2-[1-(benzenesulfonyl)indol-3-yl]ethoxy]-3,4-bis(phenylmethoxy)-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol (CID 10629152) is [(2S,3S,4R,5R,6S)-6-[2-[1-(benzenesulfonyl)indol-3-yl]ethoxy]-3,4-bis(phenylmethoxy)-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol.

What is the SMILES notation for [(2S,3S,4R,5R,6S)-6-[2-[1-(benzenesulfonyl)indol-3-yl]ethoxy]-3,4-bis(phenylmethoxy)-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol?

The canonical SMILES for [(2S,3S,4R,5R,6S)-6-[2-[1-(benzenesulfonyl)indol-3-yl]ethoxy]-3,4-bis(phenylmethoxy)-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol is CC(C)[Si](O[C@H]1[C@@H](OCCc2cn(S(=O)(=O)c3ccccc3)c3ccccc23)O[C@@H](CO)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)(C(C)C)C(C)C.

What is the InChIKey of [(2S,3S,4R,5R,6S)-6-[2-[1-(benzenesulfonyl)indol-3-yl]ethoxy]-3,4-bis(phenylmethoxy)-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol?

The InChIKey is GUHRVDUXDNVDQB-KFHNVMNZSA-N. The full InChI is InChI=1S/C45H57NO8SSi/c1-32(2)56(33(3)4,34(5)6)54-44-43(52-31-36-20-12-8-13-21-36)42(51-30-35-18-10-7-11-19-35)41(29-47)53-45(44)50-27-26-37-28-46(40-25-17-16-24-39(37)40)55(48,49)38-22-14-9-15-23-38/h7-25,28,32-34,41-45,47H,26-27,29-31H2,1-6H3/t41-,42-,43+,44+,45-/m0/s1.

What are the key properties of [(2S,3S,4R,5R,6S)-6-[2-[1-(benzenesulfonyl)indol-3-yl]ethoxy]-3,4-bis(phenylmethoxy)-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol?

[(2S,3S,4R,5R,6S)-6-[2-[1-(benzenesulfonyl)indol-3-yl]ethoxy]-3,4-bis(phenylmethoxy)-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol has a molecular weight of 800.10 g/mol, XLogP of 8.89, 18 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3S,4R,5R,6S)-6-[2-[1-(benzenesulfonyl)indol-3-yl]ethoxy]-3,4-bis(phenylmethoxy)-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol is sourced from PubChem (CID 10629152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).