ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate

C21H38O8Si — CID 10906415

IUPACethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCOC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)=C[C@H]([C@@H]2O[C@H](C)OC[C@H]2OCOC)O1
InChIInChI=1S/C21H38O8Si/c1-9-24-20(22)17-11-15(29-30(7,8)21(3,4)5)10-16(28-17)19-18(26-13-23-6)12-25-14(2)27-19/h10,14,16-19H,9,11-13H2,1-8H3/t14-,16-,17+,18-,19+/m1/s1
InChIKeyFTUDGAVGYDNMJE-FTWQHDNSSA-N
MW446.61 g/mol
LogP3.36
Rot. Bonds8

About ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate

ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate (PubChem CID 10906415) has the molecular formula C21H38O8Si and a molecular weight of 446.61 g/mol. Its IUPAC name is ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate
PubChem CID10906415
Molecular FormulaC21H38O8Si
Molecular Weight446.61 g/mol
Exact Mass446.23
IUPAC Nameethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCOC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)=C[C@H]([C@@H]2O[C@H](C)OC[C@H]2OCOC)O1
InChIInChI=1S/C21H38O8Si/c1-9-24-20(22)17-11-15(29-30(7,8)21(3,4)5)10-16(28-17)19-18(26-13-23-6)12-25-14(2)27-19/h10,14,16-19H,9,11-13H2,1-8H3/t14-,16-,17+,18-,19+/m1/s1
InChIKeyFTUDGAVGYDNMJE-FTWQHDNSSA-N
XLogP3.36
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.61
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate?
The IUPAC name of ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate (CID 10906415) is ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate.
What is the SMILES notation for ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate?
The canonical SMILES for ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate is CCOC(=O)[C@@H]1CC(O[Si](C)(C)C(C)(C)C)=C[C@H]([C@@H]2O[C@H](C)OC[C@H]2OCOC)O1.
What is the InChIKey of ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate?
The InChIKey is FTUDGAVGYDNMJE-FTWQHDNSSA-N. The full InChI is InChI=1S/C21H38O8Si/c1-9-24-20(22)17-11-15(29-30(7,8)21(3,4)5)10-16(28-17)19-18(26-13-23-6)12-25-14(2)27-19/h10,14,16-19H,9,11-13H2,1-8H3/t14-,16-,17+,18-,19+/m1/s1.
What are the key properties of ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate?
ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate has a molecular weight of 446.61 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate is sourced from PubChem (CID 10906415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).