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114976-76-0 | 3,4-Pyrrolidinediol, 2-[(1S)-1,2-dihydroxyethyl]-, hydrochloride (1:1), (2R,3S,4R)-
CAS No: 114976-76-0 Catalog No: AG000FII MDL No:
Product Description
Catalog Number:
AG000FII
Chemical Name:
3,4-Pyrrolidinediol, 2-[(1S)-1,2-dihydroxyethyl]-, hydrochloride (1:1), (2R,3S,4R)-
CAS Number:
114976-76-0
Molecular Formula:
C6H14ClNO4
Molecular Weight:
199.6327
IUPAC Name:
(2R,3S,4R)-2-[(1S)-1,2-dihydroxyethyl]pyrrolidine-3,4-diol;hydrochloride
InChI:
InChI=1S/C6H13NO4.ClH/c8-2-4(10)5-6(11)3(9)1-7-5;/h3-11H,1-2H2;1H/t3-,4-,5-,6-;/m1./s1
InChI Key:
IFRNNJQXHHLGKS-MVNLRXSJSA-N
SMILES:
OC[C@H]([C@@H]1NC[C@H]([C@H]1O)O)O.Cl
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
199.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
199.631g/mol
Monoisotopic Mass:
199.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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