(3S,4S,5R)-1,3,4,5,6-Pentahydroxyhexan-2-one


Chemical Name: (3S,4S,5R)-1,3,4,5,6-Pentahydroxyhexan-2-one
CAS Number: 87-81-0
Product Number: AG00IEB3(AGN-PC-0WAM1R)
Synonyms:
MDL No: MFCD00134449
Molecular Formula:
Molecular Weight:

Identification/Properties


Computed Properties
Molecular Weight:
180.156g/mol
XLogP3:
-3.2
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
180.063g/mol
Monoisotopic Mass:
180.063g/mol
Topological Polar Surface Area:
118A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
147
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
0
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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