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

C13H26O5Si — CID 134855123

IUPAC(2R,3R)-3-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-2,3-dihydroxypropanal
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(C)O[C@H]1[C@H](O)[C@@H](O)C=O
InChIInChI=1S/C13H26O5Si/c1-12(2,3)19(5,6)17-8-13(4)11(18-13)10(16)9(15)7-14/h7,9-11,15-16H,8H2,1-6H3/t9-,10+,11-,13-/m0/s1
InChIKeyJHEOGDNAQGIKBW-NOHGZBONSA-N
MW290.43 g/mol
LogP1.09
Rot. Bonds6

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

(2R,3R)-3-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-2,3-dihydroxypropanal (PubChem CID 134855123) has the molecular formula C13H26O5Si and a molecular weight of 290.43 g/mol. Its IUPAC name is (2R,3R)-3-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-2,3-dihydroxypropanal.

Molecular Properties

Compound Name(2R,3R)-3-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-2,3-dihydroxypropanal
PubChem CID134855123
Molecular FormulaC13H26O5Si
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(2R,3R)-3-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-2,3-dihydroxypropanal
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(C)O[C@H]1[C@H](O)[C@@H](O)C=O
InChIInChI=1S/C13H26O5Si/c1-12(2,3)19(5,6)17-8-13(4)11(18-13)10(16)9(15)7-14/h7,9-11,15-16H,8H2,1-6H3/t9-,10+,11-,13-/m0/s1
InChIKeyJHEOGDNAQGIKBW-NOHGZBONSA-N
XLogP1.09
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-Di-O-acetyl-6-O-(tert-butyldimethylsilyl)-D-glucal
CID 71311501
[4-Acetyloxy-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-6-oxohexan-3-yl] acetate
CID 74765278
(1R,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-methyl-3,7-dioxabicyclo[4.1.0]heptan-4-one
CID 101098584

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-2,3-dihydroxypropanal?
The IUPAC name of (2R,3R)-3-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-2,3-dihydroxypropanal (CID 134855123) is (2R,3R)-3-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-2,3-dihydroxypropanal.
What is the SMILES notation for (2R,3R)-3-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-2,3-dihydroxypropanal?
The canonical SMILES for (2R,3R)-3-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-2,3-dihydroxypropanal is CC(C)(C)[Si](C)(C)OC[C@]1(C)O[C@H]1[C@H](O)[C@@H](O)C=O.
What is the InChIKey of (2R,3R)-3-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-2,3-dihydroxypropanal?
The InChIKey is JHEOGDNAQGIKBW-NOHGZBONSA-N. The full InChI is InChI=1S/C13H26O5Si/c1-12(2,3)19(5,6)17-8-13(4)11(18-13)10(16)9(15)7-14/h7,9-11,15-16H,8H2,1-6H3/t9-,10+,11-,13-/m0/s1.
What are the key properties of (2R,3R)-3-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-2,3-dihydroxypropanal?
(2R,3R)-3-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-2,3-dihydroxypropanal has a molecular weight of 290.43 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-2,3-dihydroxypropanal is sourced from PubChem (CID 134855123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).