[(3'R,3aR,4'S,5R,6S,6aR)-3'-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6'-hydroxy-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]-4'-yl] acetate

C22H38O10Si — CID 101202169

IUPAC[(3'R,3aR,4'S,5R,6S,6aR)-3'-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6'-hydroxy-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]-4'-yl] acetate
SMILESCC(=O)O[C@H]1CC(O)O[C@]2([C@@H]1OC(C)=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1OC(C)(C)O[C@@H]12
InChIInChI=1S/C22H38O10Si/c1-12(23)27-14-10-16(25)30-22(17(14)28-13(2)24)15(11-26-33(8,9)20(3,4)5)29-19-18(22)31-21(6,7)32-19/h14-19,25H,10-11H2,1-9H3/t14-,15+,16?,17+,18-,19+,22-/m0/s1
InChIKeyYGXHXSGDQAGJLU-JEZIJQKBSA-N
MW490.62 g/mol
LogP2.23
Rot. Bonds5

About [(3'R,3aR,4'S,5R,6S,6aR)-3'-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6'-hydroxy-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]-4'-yl] acetate

[(3'R,3aR,4'S,5R,6S,6aR)-3'-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6'-hydroxy-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]-4'-yl] acetate (PubChem CID 101202169) has the molecular formula C22H38O10Si and a molecular weight of 490.62 g/mol. Its IUPAC name is [(3'R,3aR,4'S,5R,6S,6aR)-3'-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6'-hydroxy-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]-4'-yl] acetate.

Molecular Properties

Compound Name[(3'R,3aR,4'S,5R,6S,6aR)-3'-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6'-hydroxy-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]-4'-yl] acetate
PubChem CID101202169
Molecular FormulaC22H38O10Si
Molecular Weight490.62 g/mol
Exact Mass490.22
IUPAC Name[(3'R,3aR,4'S,5R,6S,6aR)-3'-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6'-hydroxy-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]-4'-yl] acetate
SMILESCC(=O)O[C@H]1CC(O)O[C@]2([C@@H]1OC(C)=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1OC(C)(C)O[C@@H]12
InChIInChI=1S/C22H38O10Si/c1-12(23)27-14-10-16(25)30-22(17(14)28-13(2)24)15(11-26-33(8,9)20(3,4)5)29-19-18(22)31-21(6,7)32-19/h14-19,25H,10-11H2,1-9H3/t14-,15+,16?,17+,18-,19+,22-/m0/s1
InChIKeyYGXHXSGDQAGJLU-JEZIJQKBSA-N
XLogP2.23
TPSA118.98 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.62
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [(3'R,3aR,4'S,5R,6S,6aR)-3'-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6'-hydroxy-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]-4'-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3'R,3aR,4'S,5R,6S,6aR)-3'-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6'-hydroxy-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]-4'-yl] acetate?
The IUPAC name of [(3'R,3aR,4'S,5R,6S,6aR)-3'-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6'-hydroxy-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]-4'-yl] acetate (CID 101202169) is [(3'R,3aR,4'S,5R,6S,6aR)-3'-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6'-hydroxy-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]-4'-yl] acetate.
What is the SMILES notation for [(3'R,3aR,4'S,5R,6S,6aR)-3'-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6'-hydroxy-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]-4'-yl] acetate?
The canonical SMILES for [(3'R,3aR,4'S,5R,6S,6aR)-3'-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6'-hydroxy-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]-4'-yl] acetate is CC(=O)O[C@H]1CC(O)O[C@]2([C@@H]1OC(C)=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1OC(C)(C)O[C@@H]12.
What is the InChIKey of [(3'R,3aR,4'S,5R,6S,6aR)-3'-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6'-hydroxy-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]-4'-yl] acetate?
The InChIKey is YGXHXSGDQAGJLU-JEZIJQKBSA-N. The full InChI is InChI=1S/C22H38O10Si/c1-12(23)27-14-10-16(25)30-22(17(14)28-13(2)24)15(11-26-33(8,9)20(3,4)5)29-19-18(22)31-21(6,7)32-19/h14-19,25H,10-11H2,1-9H3/t14-,15+,16?,17+,18-,19+,22-/m0/s1.
What are the key properties of [(3'R,3aR,4'S,5R,6S,6aR)-3'-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6'-hydroxy-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]-4'-yl] acetate?
[(3'R,3aR,4'S,5R,6S,6aR)-3'-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6'-hydroxy-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]-4'-yl] acetate has a molecular weight of 490.62 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(3'R,3aR,4'S,5R,6S,6aR)-3'-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6'-hydroxy-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]-4'-yl] acetate is sourced from PubChem (CID 101202169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).