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15996-16-4 | 2,5-Piperazinedione, 3,6-bis(hydroxymethyl)-, trans- (8CI,9CI)
CAS No: 15996-16-4 Catalog No: AG001RJW MDL No:MFCD18833259
Product Description
Catalog Number:
AG001RJW
Chemical Name:
2,5-Piperazinedione, 3,6-bis(hydroxymethyl)-, trans- (8CI,9CI)
CAS Number:
15996-16-4
Molecular Formula:
C6H10N2O4
Molecular Weight:
174.1546
MDL Number:
MFCD18833259
IUPAC Name:
(3R,6S)-3,6-bis(hydroxymethyl)piperazine-2,5-dione
InChI:
InChI=1S/C6H10N2O4/c9-1-3-5(11)8-4(2-10)6(12)7-3/h3-4,9-10H,1-2H2,(H,7,12)(H,8,11)/t3-,4+
InChI Key:
SUWGHSHLNOADHI-ZXZARUISSA-N
SMILES:
OC[C@@H]1NC(=O)[C@H](NC1=O)CO
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
174.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
174.156g/mol
Monoisotopic Mass:
174.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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