D-erythro-Pentofuranose, 2-deoxy-2,2-difluoro-, 3,5-dibenzoate1-methanesulfonate


Chemical Name: D-erythro-Pentofuranose, 2-deoxy-2,2-difluoro-, 3,5-dibenzoate1-methanesulfonate
CAS Number: 122111-11-9
Product Number: AG00HGMK(AGN-PC-0PFW9H)
Synonyms:
MDL No:
Molecular Formula: C20H18F2O8S
Molecular Weight: 456.4139

Identification/Properties


Computed Properties
Molecular Weight:
456.413g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
9
Exact Mass:
456.069g/mol
Monoisotopic Mass:
456.069g/mol
Topological Polar Surface Area:
114A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
739
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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