ethyl (2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxyoxane-2-carboxylate

C19H36O7Si — CID 10549228

IUPACethyl (2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxyoxane-2-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C19H36O7Si/c1-9-22-17(21)13-10-12(26-27(7,8)18(2,3)4)15(20)16(24-13)14-11-23-19(5,6)25-14/h12-16,20H,9-11H2,1-8H3/t12-,13-,14-,15+,16-/m1/s1
InChIKeyOJYKXEYTVBUDJW-DGXTUMSLSA-N
MW404.58 g/mol
LogP2.61
Rot. Bonds5

About ethyl (2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxyoxane-2-carboxylate

ethyl (2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxyoxane-2-carboxylate (PubChem CID 10549228) has the molecular formula C19H36O7Si and a molecular weight of 404.58 g/mol. Its IUPAC name is ethyl (2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxyoxane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxyoxane-2-carboxylate
PubChem CID10549228
Molecular FormulaC19H36O7Si
Molecular Weight404.58 g/mol
Exact Mass404.22
IUPAC Nameethyl (2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxyoxane-2-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C19H36O7Si/c1-9-22-17(21)13-10-12(26-27(7,8)18(2,3)4)15(20)16(24-13)14-11-23-19(5,6)25-14/h12-16,20H,9-11H2,1-8H3/t12-,13-,14-,15+,16-/m1/s1
InChIKeyOJYKXEYTVBUDJW-DGXTUMSLSA-N
XLogP2.61
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl (2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxyoxane-2-carboxylate with MolForge

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Related Compounds

ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanoate
CID 23642893
methyl (2R,3S,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxy-5-triethylsilyloxypentanoate
CID 134971266
methyl (2R,3S,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-4-methyl-5-triethylsilyloxypentanoate
CID 134971288
methyl (2R,3S,4S,5R)-3-butan-2-yloxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-5-triethylsilyloxypentanoate
CID 135012656
methyl (4S,5R)-5-[(1S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypent-4-ynyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 139262747
methyl (4S,5R)-5-[(1S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypent-4-ynyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 139262751
dimethyl (5R)-4-hydroxy-2,2-dimethyl-5-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate
CID 155932020
ethyl (2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxooxane-2-carboxylate
CID 10716123
ethyl (2S,4S,5R,6R)-6-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(methoxymethoxy)methyl]-4,5-dihydroxyoxane-2-carboxylate
CID 101055263
(2S,3R,4S,5R)-6-dodecoxy-6-dodecyl-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 54142902
(2S,3R,4S,5R)-6-decoxy-6-decyl-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 54318762
(2S,3R,4S,5R)-3,4,5-trihydroxy-6-octoxy-6-octyloxane-2-carboxylic acid
CID 54363967

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxyoxane-2-carboxylate?
The IUPAC name of ethyl (2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxyoxane-2-carboxylate (CID 10549228) is ethyl (2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxyoxane-2-carboxylate.
What is the SMILES notation for ethyl (2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxyoxane-2-carboxylate?
The canonical SMILES for ethyl (2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxyoxane-2-carboxylate is CCOC(=O)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]([C@H]2COC(C)(C)O2)O1.
What is the InChIKey of ethyl (2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxyoxane-2-carboxylate?
The InChIKey is OJYKXEYTVBUDJW-DGXTUMSLSA-N. The full InChI is InChI=1S/C19H36O7Si/c1-9-22-17(21)13-10-12(26-27(7,8)18(2,3)4)15(20)16(24-13)14-11-23-19(5,6)25-14/h12-16,20H,9-11H2,1-8H3/t12-,13-,14-,15+,16-/m1/s1.
What are the key properties of ethyl (2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxyoxane-2-carboxylate?
ethyl (2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxyoxane-2-carboxylate has a molecular weight of 404.58 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxyoxane-2-carboxylate is sourced from PubChem (CID 10549228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).