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164415-09-2 | 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-propyl-, (2R,3R,4R)-
CAS No: 164415-09-2 Catalog No: AG001UVE MDL No:
Product Description
Catalog Number:
AG001UVE
Chemical Name:
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-propyl-, (2R,3R,4R)-
CAS Number:
164415-09-2
Molecular Formula:
C8H17NO3
Molecular Weight:
175.2255
IUPAC Name:
(2R,3R,4R)-2-(hydroxymethyl)-1-propylpyrrolidine-3,4-diol
InChI:
InChI=1S/C8H17NO3/c1-2-3-9-4-7(11)8(12)6(9)5-10/h6-8,10-12H,2-5H2,1H3/t6-,7-,8-/m1/s1
InChI Key:
PXKLZLSYHLZPMK-BWZBUEFSSA-N
SMILES:
CCCN1C[C@H]([C@@H]([C@H]1CO)O)O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
175.121g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
175.228g/mol
Monoisotopic Mass:
175.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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