methyl (2S,3R)-4-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-2,3-dihydroxybutanoate

C15H30O6Si — CID 25107870

IUPACmethyl (2S,3R)-4-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-2,3-dihydroxybutanoate
SMILESCOC(=O)[C@@H](O)[C@H](O)C[C@]1(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O6Si/c1-14(2,3)22(6,7)20-9-11-15(4,21-11)8-10(16)12(17)13(18)19-5/h10-12,16-17H,8-9H2,1-7H3/t10-,11+,12+,15+/m1/s1
InChIKeyFDJUMIXZCCYXGL-YXMPFFBPSA-N
MW334.49 g/mol
LogP1.45
Rot. Bonds7

About methyl (2S,3R)-4-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-2,3-dihydroxybutanoate

methyl (2S,3R)-4-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-2,3-dihydroxybutanoate (PubChem CID 25107870) has the molecular formula C15H30O6Si and a molecular weight of 334.49 g/mol. Its IUPAC name is methyl (2S,3R)-4-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-2,3-dihydroxybutanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-4-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-2,3-dihydroxybutanoate
PubChem CID25107870
Molecular FormulaC15H30O6Si
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Namemethyl (2S,3R)-4-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-2,3-dihydroxybutanoate
SMILESCOC(=O)[C@@H](O)[C@H](O)C[C@]1(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O6Si/c1-14(2,3)22(6,7)20-9-11-15(4,21-11)8-10(16)12(17)13(18)19-5/h10-12,16-17H,8-9H2,1-7H3/t10-,11+,12+,15+/m1/s1
InChIKeyFDJUMIXZCCYXGL-YXMPFFBPSA-N
XLogP1.45
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,3R,4S)-2-(3-((tert-butyldimethylsilyl)oxy)propyl)-2,3-dihydroxy-4-methylhexanoate
CID 10893444
ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 23631762
ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanoate
CID 23642893
ethyl (2R,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 24823367
methyl (2S,3R)-3-[(2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3,3-dimethyl-6-oxooctyl]oxirane-2-carboxylate
CID 25170445
2,3,4,6-Tetra-methyl-gluconolactone
CID 129669916
tert-butyl (3R,5S)-3,5-dihydroxy-5-[(2S,3R)-3-trimethylsilyloxiran-2-yl]pentanoate
CID 134879057
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 135038443
methyl (2S,3R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-hydroxy-5-methyloxolane-2-carboxylate
CID 139038790
methyl (1R,3R,4R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-7-oxabicyclo[4.1.0]heptane-1-carboxylate
CID 15720337
4-(tert-Butyl-dimethyl-silanyloxy)-1-hydroxy-cyclohexanecarboxylic acid ethyl ester
CID 58291838
methyl (3R,4S,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylate
CID 59036350

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-4-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-2,3-dihydroxybutanoate?
The IUPAC name of methyl (2S,3R)-4-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-2,3-dihydroxybutanoate (CID 25107870) is methyl (2S,3R)-4-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-2,3-dihydroxybutanoate.
What is the SMILES notation for methyl (2S,3R)-4-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-2,3-dihydroxybutanoate?
The canonical SMILES for methyl (2S,3R)-4-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-2,3-dihydroxybutanoate is COC(=O)[C@@H](O)[C@H](O)C[C@]1(C)O[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2S,3R)-4-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-2,3-dihydroxybutanoate?
The InChIKey is FDJUMIXZCCYXGL-YXMPFFBPSA-N. The full InChI is InChI=1S/C15H30O6Si/c1-14(2,3)22(6,7)20-9-11-15(4,21-11)8-10(16)12(17)13(18)19-5/h10-12,16-17H,8-9H2,1-7H3/t10-,11+,12+,15+/m1/s1.
What are the key properties of methyl (2S,3R)-4-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-2,3-dihydroxybutanoate?
methyl (2S,3R)-4-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-2,3-dihydroxybutanoate has a molecular weight of 334.49 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-4-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-2,3-dihydroxybutanoate is sourced from PubChem (CID 25107870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).