(2R,3R,5Z,8S,9R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]ethyl]-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-3-ol

C35H64O6Si2 — CID 102464243

About (2R,3R,5Z,8S,9R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]ethyl]-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-3-ol

(2R,3R,5Z,8S,9R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]ethyl]-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-3-ol (PubChem CID 102464243) has the molecular formula C35H64O6Si2 and a molecular weight of 637.06 g/mol. Its IUPAC name is (2R,3R,5Z,8S,9R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]ethyl]-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-3-ol.

Molecular Properties

• Compound Name: (2R,3R,5Z,8S,9R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]ethyl]-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-3-ol
• PubChem CID: 102464243
• Molecular Formula: C35H64O6Si2
• Molecular Weight: 637.06 g/mol
• Exact Mass: 636.42
• IUPAC Name: (2R,3R,5Z,8S,9R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]ethyl]-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-3-ol
• SMILES: CC[C@H]1O[C@@H]([C@@H](COCc2ccc(OC)cc2)O[Si](C)(C)C(C)(C)C)[C@H](O)C/C=C\C[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C35H64O6Si2/c1-14-31-32(41-43(25(2)3,26(4)5)27(6)7)18-16-15-17-30(36)34(39-31)33(40-42(12,13)35(8,9)10)24-38-23-28-19-21-29(37-11)22-20-28/h15-16,19-22,25-27,30-34,36H,14,17-18,23-24H2,1-13H3/b16-15-/t30-,31-,32+,33-,34-/m1/s1
• InChIKey: PKQAKWHBIOETMY-VISBFMGPSA-N
• XLogP: 9.04
• TPSA: 66.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.06
LogP ≤ 5	9.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5Z,8S,9R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]ethyl]-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-3-ol?

The IUPAC name of (2R,3R,5Z,8S,9R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]ethyl]-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-3-ol (CID 102464243) is (2R,3R,5Z,8S,9R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]ethyl]-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-3-ol.

What is the SMILES notation for (2R,3R,5Z,8S,9R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]ethyl]-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-3-ol?

The canonical SMILES for (2R,3R,5Z,8S,9R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]ethyl]-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-3-ol is CC[C@H]1O[C@@H]([C@@H](COCc2ccc(OC)cc2)O[Si](C)(C)C(C)(C)C)[C@H](O)C/C=C\C[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of (2R,3R,5Z,8S,9R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]ethyl]-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-3-ol?

The InChIKey is PKQAKWHBIOETMY-VISBFMGPSA-N. The full InChI is InChI=1S/C35H64O6Si2/c1-14-31-32(41-43(25(2)3,26(4)5)27(6)7)18-16-15-17-30(36)34(39-31)33(40-42(12,13)35(8,9)10)24-38-23-28-19-21-29(37-11)22-20-28/h15-16,19-22,25-27,30-34,36H,14,17-18,23-24H2,1-13H3/b16-15-/t30-,31-,32+,33-,34-/m1/s1.

What are the key properties of (2R,3R,5Z,8S,9R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]ethyl]-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-3-ol?

(2R,3R,5Z,8S,9R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]ethyl]-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-3-ol has a molecular weight of 637.06 g/mol, XLogP of 9.04, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,5Z,8S,9R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]ethyl]-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-3-ol is sourced from PubChem (CID 102464243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).