Home Other Building Blocks (-)-Corey lactone 4-phenylbenzoate alcohol

(-)-Corey lactone 4-phenylbenzoate alcohol

CAS No.:
31752-99-5
Catalog Number:
AG003BQQ
Molecular Formula:
C21H20O5
Molecular Weight:
352.3805
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$85
- +
5g
98%
In Stock USA
United States
$263
- +
10g
98%
In Stock USA
United States
$419
- +
25g
98%
In Stock USA
United States
$832
- +
Product Description
Catalog Number:
AG003BQQ
Chemical Name:
(-)-Corey lactone 4-phenylbenzoate alcohol
CAS Number:
31752-99-5
Molecular Formula:
C21H20O5
Molecular Weight:
352.3805
MDL Number:
MFCD00078077
IUPAC Name:
[(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate
InChI:
InChI=1S/C21H20O5/c22-12-17-16-10-20(23)25-18(16)11-19(17)26-21(24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-19,22H,10-12H2/t16-,17-,18+,19-/m1/s1
InChI Key:
SZJVIFMPKWMGSX-AKHDSKFASA-N
SMILES:
OC[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)OC(=O)c1ccc(cc1)c1ccccc1
EC Number:
608-667-5
Properties
Complexity:
519  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
352.131g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
352.386g/mol
Monoisotopic Mass:
352.131g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties