(2R)-1-[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-5-[2-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enyl]-1,3-dioxolan-2-yl]-2-methylpentan-3-one

C45H70O8Si2 — CID 135073933

About (2R)-1-[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-5-[2-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enyl]-1,3-dioxolan-2-yl]-2-methylpentan-3-one

(2R)-1-[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-5-[2-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enyl]-1,3-dioxolan-2-yl]-2-methylpentan-3-one (PubChem CID 135073933) has the molecular formula C45H70O8Si2 and a molecular weight of 795.22 g/mol. Its IUPAC name is (2R)-1-[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-5-[2-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enyl]-1,3-dioxolan-2-yl]-2-methylpentan-3-one.

Molecular Properties

• Compound Name: (2R)-1-[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-5-[2-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enyl]-1,3-dioxolan-2-yl]-2-methylpentan-3-one
• PubChem CID: 135073933
• Molecular Formula: C45H70O8Si2
• Molecular Weight: 795.22 g/mol
• Exact Mass: 794.46
• IUPAC Name: (2R)-1-[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-5-[2-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enyl]-1,3-dioxolan-2-yl]-2-methylpentan-3-one
• SMILES: C/C(=C/[C@H]1COC(C)(C)O1)CC1(CCC(=O)[C@H](C)C[C@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]2O[Si](C)(C)C(C)(C)C)OCCO1
• InChI: InChI=1S/C45H70O8Si2/c1-33(27-36-31-49-44(9,10)52-36)30-45(47-25-26-48-45)24-23-39(46)34(2)28-40-41(53-54(11,12)42(3,4)5)29-35(51-40)32-50-55(43(6,7)8,37-19-15-13-16-20-37)38-21-17-14-18-22-38/h13-22,27,34-36,40-41H,23-26,28-32H2,1-12H3/b33-27-/t34-,35+,36+,40-,41-/m1/s1
• InChIKey: RYXXRMDDNITVCF-NNRMGZCLSA-N
• XLogP: 8.72
• TPSA: 81.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.22
LogP ≤ 5	8.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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)-1-[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-5-[2-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enyl]-1,3-dioxolan-2-yl]-2-methylpentan-3-one?

The IUPAC name of (2R)-1-[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-5-[2-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enyl]-1,3-dioxolan-2-yl]-2-methylpentan-3-one (CID 135073933) is (2R)-1-[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-5-[2-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enyl]-1,3-dioxolan-2-yl]-2-methylpentan-3-one.

What is the SMILES notation for (2R)-1-[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-5-[2-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enyl]-1,3-dioxolan-2-yl]-2-methylpentan-3-one?

The canonical SMILES for (2R)-1-[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-5-[2-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enyl]-1,3-dioxolan-2-yl]-2-methylpentan-3-one is C/C(=C/[C@H]1COC(C)(C)O1)CC1(CCC(=O)[C@H](C)C[C@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]2O[Si](C)(C)C(C)(C)C)OCCO1.

What is the InChIKey of (2R)-1-[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-5-[2-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enyl]-1,3-dioxolan-2-yl]-2-methylpentan-3-one?

The InChIKey is RYXXRMDDNITVCF-NNRMGZCLSA-N. The full InChI is InChI=1S/C45H70O8Si2/c1-33(27-36-31-49-44(9,10)52-36)30-45(47-25-26-48-45)24-23-39(46)34(2)28-40-41(53-54(11,12)42(3,4)5)29-35(51-40)32-50-55(43(6,7)8,37-19-15-13-16-20-37)38-21-17-14-18-22-38/h13-22,27,34-36,40-41H,23-26,28-32H2,1-12H3/b33-27-/t34-,35+,36+,40-,41-/m1/s1.

What are the key properties of (2R)-1-[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-5-[2-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enyl]-1,3-dioxolan-2-yl]-2-methylpentan-3-one?

(2R)-1-[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-5-[2-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enyl]-1,3-dioxolan-2-yl]-2-methylpentan-3-one has a molecular weight of 795.22 g/mol, XLogP of 8.72, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-5-[2-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enyl]-1,3-dioxolan-2-yl]-2-methylpentan-3-one is sourced from PubChem (CID 135073933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).