1-[(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]ethane-1,2-diol

C22H30O4SSi — CID 10341987

IUPAC1-[(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]ethane-1,2-diol
SMILESCC(C)(C)[Si](OC[C@@H]1O[C@H](C(O)CO)CS1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O4SSi/c1-22(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)25-15-21-26-20(16-27-21)19(24)14-23/h4-13,19-21,23-24H,14-16H2,1-3H3/t19?,20-,21+/m0/s1
InChIKeyLYWPSCXNLKHNHH-GJGLBJJNSA-N
MW418.63 g/mol
LogP2.37
Rot. Bonds7

About 1-[(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]ethane-1,2-diol

1-[(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]ethane-1,2-diol (PubChem CID 10341987) has the molecular formula C22H30O4SSi and a molecular weight of 418.63 g/mol. Its IUPAC name is 1-[(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]ethane-1,2-diol
PubChem CID10341987
Molecular FormulaC22H30O4SSi
Molecular Weight418.63 g/mol
Exact Mass418.16
IUPAC Name1-[(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]ethane-1,2-diol
SMILESCC(C)(C)[Si](OC[C@@H]1O[C@H](C(O)CO)CS1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O4SSi/c1-22(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)25-15-21-26-20(16-27-21)19(24)14-23/h4-13,19-21,23-24H,14-16H2,1-3H3/t19?,20-,21+/m0/s1
InChIKeyLYWPSCXNLKHNHH-GJGLBJJNSA-N
XLogP2.37
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.63
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol
CID 24755864
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-ol
CID 140801401
(3aS,4R,6S,7R,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 20739026
(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolane-5-carboxylic acid
CID 10341081
(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol
CID 24755865
(2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-ol
CID 51003204
(2S,3R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-ol
CID 51003206
(2S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxolan-3-ol
CID 134835082
tert-butyl-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propoxy]-diphenylsilane
CID 134878579
4-[Tert-butyl(diphenyl)silyl]oxy-1-(1,3-dithiolan-2-yl)tetradecan-3-ol
CID 134906130
(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(1,3-dithian-2-yl)butan-2-ol
CID 134936237
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxo-1,3-oxathiolane-5-carboxylic acid
CID 178326390

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]ethane-1,2-diol?
The IUPAC name of 1-[(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]ethane-1,2-diol (CID 10341987) is 1-[(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]ethane-1,2-diol?
The canonical SMILES for 1-[(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]ethane-1,2-diol is CC(C)(C)[Si](OC[C@@H]1O[C@H](C(O)CO)CS1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]ethane-1,2-diol?
The InChIKey is LYWPSCXNLKHNHH-GJGLBJJNSA-N. The full InChI is InChI=1S/C22H30O4SSi/c1-22(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)25-15-21-26-20(16-27-21)19(24)14-23/h4-13,19-21,23-24H,14-16H2,1-3H3/t19?,20-,21+/m0/s1.
What are the key properties of 1-[(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]ethane-1,2-diol?
1-[(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]ethane-1,2-diol has a molecular weight of 418.63 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]ethane-1,2-diol is sourced from PubChem (CID 10341987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).