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Home Other Building Blocks Benzyl (S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate

Benzyl (S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate

CAS No.:
87219-29-2
Catalog Number:
AG0036BT
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$65
- +
5g
95%
In Stock USA
United States
$232
- +
10g
95%
In Stock USA
United States
$375
- +
25g
95%
In Stock USA
United States
$813
- +
Product Description
Catalog Number:
AG0036BT
Chemical Name:
Benzyl (S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate
CAS Number:
87219-29-2
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
MDL Number:
MFCD00216569
IUPAC Name:
benzyl N-[(3S)-5-oxooxolan-3-yl]carbamate
InChI:
InChI=1S/C12H13NO4/c14-11-6-10(8-16-11)13-12(15)17-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)/t10-/m0/s1
InChI Key:
BNIBNUOPVTZWRT-JTQLQIEISA-N
SMILES:
O=C(N[C@@H]1COC(=O)C1)OCc1ccccc1
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
3-D-QSAR of N-substituted 4-amino-3,3-dialkyl-2(3H)-furanone GABA receptor modulators using molecular field analysis and receptor surface modelling study. Bioorganic & medicinal chemistry letters 20040105
N-Substituted 4-amino-3,3-dipropyl-2(3H)-furanones: new positive allosteric modulators of the GABA(A) receptor sharing electrophysiological properties with the anticonvulsant loreclezole. Journal of medicinal chemistry 20020620
Properties