(2S,3S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-(methoxymethoxy)-2,3-dihydropyran-6-one

C15H28O6Si — CID 10947566

IUPAC(2S,3S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-(methoxymethoxy)-2,3-dihydropyran-6-one
SMILESCOCO[C@H]1C=CC(=O)O[C@H]1[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O6Si/c1-15(2,3)22(5,6)20-9-11(16)14-12(19-10-18-4)7-8-13(17)21-14/h7-8,11-12,14,16H,9-10H2,1-6H3/t11-,12+,14+/m1/s1
InChIKeyGFUWVXQWYSMPME-DYEKYZERSA-N
MW332.47 g/mol
LogP1.84
Rot. Bonds7

About (2S,3S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-(methoxymethoxy)-2,3-dihydropyran-6-one

(2S,3S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-(methoxymethoxy)-2,3-dihydropyran-6-one (PubChem CID 10947566) has the molecular formula C15H28O6Si and a molecular weight of 332.47 g/mol. Its IUPAC name is (2S,3S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-(methoxymethoxy)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S,3S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-(methoxymethoxy)-2,3-dihydropyran-6-one
PubChem CID10947566
Molecular FormulaC15H28O6Si
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name(2S,3S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-(methoxymethoxy)-2,3-dihydropyran-6-one
SMILESCOCO[C@H]1C=CC(=O)O[C@H]1[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O6Si/c1-15(2,3)22(5,6)20-9-11(16)14-12(19-10-18-4)7-8-13(17)21-14/h7-8,11-12,14,16H,9-10H2,1-6H3/t11-,12+,14+/m1/s1
InChIKeyGFUWVXQWYSMPME-DYEKYZERSA-N
XLogP1.84
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 (2S,3S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-(methoxymethoxy)-2,3-dihydropyran-6-one?
The IUPAC name of (2S,3S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-(methoxymethoxy)-2,3-dihydropyran-6-one (CID 10947566) is (2S,3S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-(methoxymethoxy)-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S,3S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-(methoxymethoxy)-2,3-dihydropyran-6-one?
The canonical SMILES for (2S,3S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-(methoxymethoxy)-2,3-dihydropyran-6-one is COCO[C@H]1C=CC(=O)O[C@H]1[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-(methoxymethoxy)-2,3-dihydropyran-6-one?
The InChIKey is GFUWVXQWYSMPME-DYEKYZERSA-N. The full InChI is InChI=1S/C15H28O6Si/c1-15(2,3)22(5,6)20-9-11(16)14-12(19-10-18-4)7-8-13(17)21-14/h7-8,11-12,14,16H,9-10H2,1-6H3/t11-,12+,14+/m1/s1.
What are the key properties of (2S,3S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-(methoxymethoxy)-2,3-dihydropyran-6-one?
(2S,3S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-(methoxymethoxy)-2,3-dihydropyran-6-one has a molecular weight of 332.47 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-(methoxymethoxy)-2,3-dihydropyran-6-one is sourced from PubChem (CID 10947566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).