methyl (2R)-2-[(4R,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate

C26H36O7Si — CID 15755732

IUPACmethyl (2R)-2-[(4R,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate
SMILESCOC(=O)[C@H](O)[C@H]1OC(C)(C)O[C@@H]1[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H36O7Si/c1-25(2,3)34(18-13-9-7-10-14-18,19-15-11-8-12-16-19)31-17-20(27)22-23(21(28)24(29)30-6)33-26(4,5)32-22/h7-16,20-23,27-28H,17H2,1-6H3/t20-,21-,22-,23-/m1/s1
InChIKeySBFYHJXWCOJYCU-SSGKUCQKSA-N
MW488.65 g/mol
LogP1.98
Rot. Bonds8

About methyl (2R)-2-[(4R,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate

methyl (2R)-2-[(4R,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate (PubChem CID 15755732) has the molecular formula C26H36O7Si and a molecular weight of 488.65 g/mol. Its IUPAC name is methyl (2R)-2-[(4R,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(4R,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate
PubChem CID15755732
Molecular FormulaC26H36O7Si
Molecular Weight488.65 g/mol
Exact Mass488.22
IUPAC Namemethyl (2R)-2-[(4R,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate
SMILESCOC(=O)[C@H](O)[C@H]1OC(C)(C)O[C@@H]1[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H36O7Si/c1-25(2,3)34(18-13-9-7-10-14-18,19-15-11-8-12-16-19)31-17-20(27)22-23(21(28)24(29)30-6)33-26(4,5)32-22/h7-16,20-23,27-28H,17H2,1-6H3/t20-,21-,22-,23-/m1/s1
InChIKeySBFYHJXWCOJYCU-SSGKUCQKSA-N
XLogP1.98
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.65
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl (2R)-2-[(4R,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(4R,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate?
The IUPAC name of methyl (2R)-2-[(4R,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate (CID 15755732) is methyl (2R)-2-[(4R,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate.
What is the SMILES notation for methyl (2R)-2-[(4R,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate?
The canonical SMILES for methyl (2R)-2-[(4R,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate is COC(=O)[C@H](O)[C@H]1OC(C)(C)O[C@@H]1[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (2R)-2-[(4R,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate?
The InChIKey is SBFYHJXWCOJYCU-SSGKUCQKSA-N. The full InChI is InChI=1S/C26H36O7Si/c1-25(2,3)34(18-13-9-7-10-14-18,19-15-11-8-12-16-19)31-17-20(27)22-23(21(28)24(29)30-6)33-26(4,5)32-22/h7-16,20-23,27-28H,17H2,1-6H3/t20-,21-,22-,23-/m1/s1.
What are the key properties of methyl (2R)-2-[(4R,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate?
methyl (2R)-2-[(4R,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate has a molecular weight of 488.65 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(4R,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate is sourced from PubChem (CID 15755732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).