S-phenyl (2R,3S)-3-(methoxymethoxy)-3-phenyl-2-trimethylsilyloxypropanethioate

C20H26O4SSi — CID 10340376

IUPACS-phenyl (2R,3S)-3-(methoxymethoxy)-3-phenyl-2-trimethylsilyloxypropanethioate
SMILESCOCO[C@@H](c1ccccc1)[C@@H](O[Si](C)(C)C)C(=O)Sc1ccccc1
InChIInChI=1S/C20H26O4SSi/c1-22-15-23-18(16-11-7-5-8-12-16)19(24-26(2,3)4)20(21)25-17-13-9-6-10-14-17/h5-14,18-19H,15H2,1-4H3/t18-,19+/m0/s1
InChIKeyPQXMPWQCZUKUQG-RBUKOAKNSA-N
MW390.58 g/mol
LogP4.89
Rot. Bonds9

About S-phenyl (2R,3S)-3-(methoxymethoxy)-3-phenyl-2-trimethylsilyloxypropanethioate

S-phenyl (2R,3S)-3-(methoxymethoxy)-3-phenyl-2-trimethylsilyloxypropanethioate (PubChem CID 10340376) has the molecular formula C20H26O4SSi and a molecular weight of 390.58 g/mol. Its IUPAC name is S-phenyl (2R,3S)-3-(methoxymethoxy)-3-phenyl-2-trimethylsilyloxypropanethioate.

Molecular Properties

Compound NameS-phenyl (2R,3S)-3-(methoxymethoxy)-3-phenyl-2-trimethylsilyloxypropanethioate
PubChem CID10340376
Molecular FormulaC20H26O4SSi
Molecular Weight390.58 g/mol
Exact Mass390.13
IUPAC NameS-phenyl (2R,3S)-3-(methoxymethoxy)-3-phenyl-2-trimethylsilyloxypropanethioate
SMILESCOCO[C@@H](c1ccccc1)[C@@H](O[Si](C)(C)C)C(=O)Sc1ccccc1
InChIInChI=1S/C20H26O4SSi/c1-22-15-23-18(16-11-7-5-8-12-16)19(24-26(2,3)4)20(21)25-17-13-9-6-10-14-17/h5-14,18-19H,15H2,1-4H3/t18-,19+/m0/s1
InChIKeyPQXMPWQCZUKUQG-RBUKOAKNSA-N
XLogP4.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.58
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of S-phenyl (2R,3S)-3-(methoxymethoxy)-3-phenyl-2-trimethylsilyloxypropanethioate?
The IUPAC name of S-phenyl (2R,3S)-3-(methoxymethoxy)-3-phenyl-2-trimethylsilyloxypropanethioate (CID 10340376) is S-phenyl (2R,3S)-3-(methoxymethoxy)-3-phenyl-2-trimethylsilyloxypropanethioate.
What is the SMILES notation for S-phenyl (2R,3S)-3-(methoxymethoxy)-3-phenyl-2-trimethylsilyloxypropanethioate?
The canonical SMILES for S-phenyl (2R,3S)-3-(methoxymethoxy)-3-phenyl-2-trimethylsilyloxypropanethioate is COCO[C@@H](c1ccccc1)[C@@H](O[Si](C)(C)C)C(=O)Sc1ccccc1.
What is the InChIKey of S-phenyl (2R,3S)-3-(methoxymethoxy)-3-phenyl-2-trimethylsilyloxypropanethioate?
The InChIKey is PQXMPWQCZUKUQG-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H26O4SSi/c1-22-15-23-18(16-11-7-5-8-12-16)19(24-26(2,3)4)20(21)25-17-13-9-6-10-14-17/h5-14,18-19H,15H2,1-4H3/t18-,19+/m0/s1.
What are the key properties of S-phenyl (2R,3S)-3-(methoxymethoxy)-3-phenyl-2-trimethylsilyloxypropanethioate?
S-phenyl (2R,3S)-3-(methoxymethoxy)-3-phenyl-2-trimethylsilyloxypropanethioate has a molecular weight of 390.58 g/mol, XLogP of 4.89, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for S-phenyl (2R,3S)-3-(methoxymethoxy)-3-phenyl-2-trimethylsilyloxypropanethioate is sourced from PubChem (CID 10340376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).