ethyl (2S,4S,5R)-4-acetyloxy-5-[1-acetyloxy-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxyoxolane-2-carboxylate

C30H40O9Si — CID 102260345

IUPACethyl (2S,4S,5R)-4-acetyloxy-5-[1-acetyloxy-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxyoxolane-2-carboxylate
SMILESCCOC(=O)[C@]1(OC)C[C@H](OC(C)=O)[C@H](C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)=O)O1
InChIInChI=1S/C30H40O9Si/c1-8-35-28(33)30(34-7)19-25(37-21(2)31)27(39-30)26(38-22(3)32)20-36-40(29(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,25-27H,8,19-20H2,1-7H3/t25-,26?,27+,30-/m0/s1
InChIKeyKDLDZGTUFPBCJA-GWAVTLKSSA-N
MW572.73 g/mol
LogP3.12
Rot. Bonds11

About ethyl (2S,4S,5R)-4-acetyloxy-5-[1-acetyloxy-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxyoxolane-2-carboxylate

ethyl (2S,4S,5R)-4-acetyloxy-5-[1-acetyloxy-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxyoxolane-2-carboxylate (PubChem CID 102260345) has the molecular formula C30H40O9Si and a molecular weight of 572.73 g/mol. Its IUPAC name is ethyl (2S,4S,5R)-4-acetyloxy-5-[1-acetyloxy-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxyoxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,4S,5R)-4-acetyloxy-5-[1-acetyloxy-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxyoxolane-2-carboxylate
PubChem CID102260345
Molecular FormulaC30H40O9Si
Molecular Weight572.73 g/mol
Exact Mass572.24
IUPAC Nameethyl (2S,4S,5R)-4-acetyloxy-5-[1-acetyloxy-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxyoxolane-2-carboxylate
SMILESCCOC(=O)[C@]1(OC)C[C@H](OC(C)=O)[C@H](C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)=O)O1
InChIInChI=1S/C30H40O9Si/c1-8-35-28(33)30(34-7)19-25(37-21(2)31)27(39-30)26(38-22(3)32)20-36-40(29(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,25-27H,8,19-20H2,1-7H3/t25-,26?,27+,30-/m0/s1
InChIKeyKDLDZGTUFPBCJA-GWAVTLKSSA-N
XLogP3.12
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.73
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(1R)-1-[(2S,3R,4R,5R)-4-acetamido-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyoxolan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyethyl] acetate
CID 171121822
ethyl (1S,3S,4S,5S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-2,7-dioxabicyclo[2.2.1]heptane-1-carboxylate
CID 101336180
[(2R)-2-acetyloxy-2-[(2R,3S,4S,5S)-3,4-diacetyloxy-5-[(2R,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5,6-trimethoxyoxan-3-yl]oxyoxolan-2-yl]ethyl] acetate
CID 71500619
ethyl (2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-2-(2-oxopropyl)pentanoate
CID 102034226
ethyl (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carboxylate
CID 102120982
methyl (2S,4S,5R)-5-benzoyloxy-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(1R,2R)-1,2,3-tribenzoyloxypropyl]oxane-2-carboxylate
CID 134973425
ethyl (2R,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)-2,4-dimethylpentanoate
CID 11134524
[(3aR,5R,6S,6aR)-5-(1-acetyloxy-2-trityloxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate
CID 22696391
ethyl (2R,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 101265935
ethyl (4S,4aS,6R,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxine-6-carboxylate
CID 102260340
[(2S,3S)-3-acetyloxy-1-[tert-butyl(diphenyl)silyl]oxy-4-oxopentan-2-yl] acetate
CID 10072767
methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate
CID 53492893

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,4S,5R)-4-acetyloxy-5-[1-acetyloxy-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxyoxolane-2-carboxylate?
The IUPAC name of ethyl (2S,4S,5R)-4-acetyloxy-5-[1-acetyloxy-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxyoxolane-2-carboxylate (CID 102260345) is ethyl (2S,4S,5R)-4-acetyloxy-5-[1-acetyloxy-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxyoxolane-2-carboxylate.
What is the SMILES notation for ethyl (2S,4S,5R)-4-acetyloxy-5-[1-acetyloxy-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxyoxolane-2-carboxylate?
The canonical SMILES for ethyl (2S,4S,5R)-4-acetyloxy-5-[1-acetyloxy-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxyoxolane-2-carboxylate is CCOC(=O)[C@]1(OC)C[C@H](OC(C)=O)[C@H](C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)=O)O1.
What is the InChIKey of ethyl (2S,4S,5R)-4-acetyloxy-5-[1-acetyloxy-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxyoxolane-2-carboxylate?
The InChIKey is KDLDZGTUFPBCJA-GWAVTLKSSA-N. The full InChI is InChI=1S/C30H40O9Si/c1-8-35-28(33)30(34-7)19-25(37-21(2)31)27(39-30)26(38-22(3)32)20-36-40(29(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,25-27H,8,19-20H2,1-7H3/t25-,26?,27+,30-/m0/s1.
What are the key properties of ethyl (2S,4S,5R)-4-acetyloxy-5-[1-acetyloxy-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxyoxolane-2-carboxylate?
ethyl (2S,4S,5R)-4-acetyloxy-5-[1-acetyloxy-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxyoxolane-2-carboxylate has a molecular weight of 572.73 g/mol, XLogP of 3.12, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,4S,5R)-4-acetyloxy-5-[1-acetyloxy-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methoxyoxolane-2-carboxylate is sourced from PubChem (CID 102260345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).