(5S,6R)-5-(Boc-amino)-6-(2,5-difluorophenyl)-3-hydroxytetrahydropyran - CAS 1172623-99-2
Catalog: |
BB003916 |
Product Name: |
(5S,6R)-5-(Boc-amino)-6-(2,5-difluorophenyl)-3-hydroxytetrahydropyran |
CAS: |
1172623-99-2 |
Synonyms: |
N-[(2R,3S)-2-(2,5-difluorophenyl)-5-hydroxy-3-oxanyl]carbamic acid tert-butyl ester; tert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-5-hydroxyoxan-3-yl]carbamate |
IUPAC Name: | tert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-5-hydroxyoxan-3-yl]carbamate |
Description: | (5S,6R)-5-(Boc-amino)-6-(2,5-difluorophenyl)-3-hydroxytetrahydropyran (CAS# 1172623-99-2 ) is a useful research chemical. |
Molecular Weight: | 329.34 |
Molecular Formula: | C16H21F2NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CC(COC1C2=C(C=CC(=C2)F)F)O |
InChI: | InChI=1S/C16H21F2NO4/c1-16(2,3)23-15(21)19-13-7-10(20)8-22-14(13)11-6-9(17)4-5-12(11)18/h4-6,10,13-14,20H,7-8H2,1-3H3,(H,19,21)/t10?,13-,14+/m0/s1 |
InChI Key: | RYDSJJXCDQFTKF-INPHSSGZSA-N |
LogP: | 3.07130 |
Publication Number | Title | Priority Date |
US-2019345144-A1 | Pyrrolidinone compounds | 20161201 |
US-10807971-B2 | Pyrrolidinone compounds | 20161201 |
WO-2017081590-A1 | Process for the preparation of omarigliptin | 20151109 |
CN-106632349-A | Pyran derivative salts or hydrates thereof, and preparation and applications of the salts and the hydrates | 20151029 |
CN-106632349-B | The hydrate and its preparation and application of the salt of pyran derivate or its salt | 20151029 |
Complexity: | 415 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 329.14386448 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 329.14386448 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 67.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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