Home Other Building Blocks (2S,3S,4S,5S,6R)-2-(2-azidoethoxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3,5-diyl dibenzoate

(2S,3S,4S,5S,6R)-2-(2-azidoethoxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3,5-diyl dibenzoate

CAS No.:
872100-81-7
Catalog Number:
AG01DGMJ
Molecular Formula:
C22H23N3O8
Molecular Weight:
457.4333
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Product Description
Catalog Number:
AG01DGMJ
Chemical Name:
(2S,3S,4S,5S,6R)-2-(2-azidoethoxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3,5-diyl dibenzoate
CAS Number:
872100-81-7
Molecular Formula:
C22H23N3O8
Molecular Weight:
457.4333
MDL Number:
MFCD19981041
IUPAC Name:
[(2R,3S,4S,5S,6S)-6-(2-azidoethoxy)-5-benzoyloxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] benzoate
InChI:
InChI=1S/C22H23N3O8/c23-25-24-11-12-30-22-19(33-21(29)15-9-5-2-6-10-15)17(27)18(16(13-26)31-22)32-20(28)14-7-3-1-4-8-14/h1-10,16-19,22,26-27H,11-13H2/t16-,17+,18-,19+,22+/m1/s1
InChI Key:
ASBLTSYYFYGWPJ-CMXRIWHBSA-N
SMILES:
OC[C@H]1O[C@H](OCCN=[N+]=[N-])[C@H]([C@H]([C@@H]1OC(=O)c1ccccc1)O)OC(=O)c1ccccc1
Properties
Complexity:
689  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
457.149g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
457.439g/mol
Monoisotopic Mass:
457.149g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties