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861675-49-2 | 1,2-Pyrrolidinediethanol, 3,4-dihydroxy-, (2S,3S,4R)-
CAS No: 861675-49-2 Catalog No: AG004TJ9 MDL No:
Product Description
Catalog Number:
AG004TJ9
Chemical Name:
1,2-Pyrrolidinediethanol, 3,4-dihydroxy-, (2S,3S,4R)-
CAS Number:
861675-49-2
Molecular Formula:
C8H17NO4
Molecular Weight:
191.2249
IUPAC Name:
(2S,3S,4R)-1,2-bis(2-hydroxyethyl)pyrrolidine-3,4-diol
InChI:
InChI=1S/C8H17NO4/c10-3-1-6-8(13)7(12)5-9(6)2-4-11/h6-8,10-13H,1-5H2/t6-,7+,8-/m0/s1
InChI Key:
AJGUOLSPZUDNSA-RNJXMRFFSA-N
SMILES:
OCCN1C[C@H]([C@H]([C@@H]1CCO)O)O
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
191.116g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
191.227g/mol
Monoisotopic Mass:
191.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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