(2R,3S,4R,5S,6S)-3-benzyl-4-[tert-butyl(dimethyl)silyl]-5-fluoro-6-methoxy-2-methyloxane-3,4-diol

C20H33FO4Si — CID 57293323

IUPAC(2R,3S,4R,5S,6S)-3-benzyl-4-[tert-butyl(dimethyl)silyl]-5-fluoro-6-methoxy-2-methyloxane-3,4-diol
SMILESCO[C@H]1O[C@H](C)[C@@](O)(Cc2ccccc2)[C@@](O)([Si](C)(C)C(C)(C)C)[C@H]1F
InChIInChI=1S/C20H33FO4Si/c1-14-19(22,13-15-11-9-8-10-12-15)20(23,16(21)17(24-5)25-14)26(6,7)18(2,3)4/h8-12,14,16-17,22-23H,13H2,1-7H3/t14-,16+,17+,19+,20+/m1/s1
InChIKeyBEDWMYMPDDAJME-GVJFSJSTSA-N
MW384.56 g/mol
LogP3.47
Rot. Bonds4

About (2R,3S,4R,5S,6S)-3-benzyl-4-[tert-butyl(dimethyl)silyl]-5-fluoro-6-methoxy-2-methyloxane-3,4-diol

(2R,3S,4R,5S,6S)-3-benzyl-4-[tert-butyl(dimethyl)silyl]-5-fluoro-6-methoxy-2-methyloxane-3,4-diol (PubChem CID 57293323) has the molecular formula C20H33FO4Si and a molecular weight of 384.56 g/mol. Its IUPAC name is (2R,3S,4R,5S,6S)-3-benzyl-4-[tert-butyl(dimethyl)silyl]-5-fluoro-6-methoxy-2-methyloxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S,6S)-3-benzyl-4-[tert-butyl(dimethyl)silyl]-5-fluoro-6-methoxy-2-methyloxane-3,4-diol
PubChem CID57293323
Molecular FormulaC20H33FO4Si
Molecular Weight384.56 g/mol
Exact Mass384.21
IUPAC Name(2R,3S,4R,5S,6S)-3-benzyl-4-[tert-butyl(dimethyl)silyl]-5-fluoro-6-methoxy-2-methyloxane-3,4-diol
SMILESCO[C@H]1O[C@H](C)[C@@](O)(Cc2ccccc2)[C@@](O)([Si](C)(C)C(C)(C)C)[C@H]1F
InChIInChI=1S/C20H33FO4Si/c1-14-19(22,13-15-11-9-8-10-12-15)20(23,16(21)17(24-5)25-14)26(6,7)18(2,3)4/h8-12,14,16-17,22-23H,13H2,1-7H3/t14-,16+,17+,19+,20+/m1/s1
InChIKeyBEDWMYMPDDAJME-GVJFSJSTSA-N
XLogP3.47
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6S)-3-benzyl-4-[tert-butyl(dimethyl)silyl]-5-fluoro-6-methoxy-2-methyloxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5S,6S)-3-benzyl-4-[tert-butyl(dimethyl)silyl]-5-fluoro-6-methoxy-2-methyloxane-3,4-diol (CID 57293323) is (2R,3S,4R,5S,6S)-3-benzyl-4-[tert-butyl(dimethyl)silyl]-5-fluoro-6-methoxy-2-methyloxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5S,6S)-3-benzyl-4-[tert-butyl(dimethyl)silyl]-5-fluoro-6-methoxy-2-methyloxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5S,6S)-3-benzyl-4-[tert-butyl(dimethyl)silyl]-5-fluoro-6-methoxy-2-methyloxane-3,4-diol is CO[C@H]1O[C@H](C)[C@@](O)(Cc2ccccc2)[C@@](O)([Si](C)(C)C(C)(C)C)[C@H]1F.
What is the InChIKey of (2R,3S,4R,5S,6S)-3-benzyl-4-[tert-butyl(dimethyl)silyl]-5-fluoro-6-methoxy-2-methyloxane-3,4-diol?
The InChIKey is BEDWMYMPDDAJME-GVJFSJSTSA-N. The full InChI is InChI=1S/C20H33FO4Si/c1-14-19(22,13-15-11-9-8-10-12-15)20(23,16(21)17(24-5)25-14)26(6,7)18(2,3)4/h8-12,14,16-17,22-23H,13H2,1-7H3/t14-,16+,17+,19+,20+/m1/s1.
What are the key properties of (2R,3S,4R,5S,6S)-3-benzyl-4-[tert-butyl(dimethyl)silyl]-5-fluoro-6-methoxy-2-methyloxane-3,4-diol?
(2R,3S,4R,5S,6S)-3-benzyl-4-[tert-butyl(dimethyl)silyl]-5-fluoro-6-methoxy-2-methyloxane-3,4-diol has a molecular weight of 384.56 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6S)-3-benzyl-4-[tert-butyl(dimethyl)silyl]-5-fluoro-6-methoxy-2-methyloxane-3,4-diol is sourced from PubChem (CID 57293323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).