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71673-21-7 | Butanamide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, (+/-)-, compd. with (2,5-dioxo-4-imidazolidinyl)urea (1:1)
CAS No: 71673-21-7 Catalog No: AG005G6L MDL No:
Product Description
Catalog Number:
AG005G6L
Chemical Name:
Butanamide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, (+/-)-, compd. with (2,5-dioxo-4-imidazolidinyl)urea (1:1)
CAS Number:
71673-21-7
Molecular Formula:
C13H25N5O7
Molecular Weight:
363.3669
IUPAC Name:
2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide;(2,5-dioxoimidazolidin-4-yl)urea
InChI:
InChI=1S/C9H19NO4.C4H6N4O3/c1-9(2,6-12)7(13)8(14)10-4-3-5-11;5-3(10)6-1-2(9)8-4(11)7-1/h7,11-13H,3-6H2,1-2H3,(H,10,14);1H,(H3,5,6,10)(H2,7,8,9,11)
InChI Key:
DMVGDAWWCIUOJI-UHFFFAOYSA-N
SMILES:
NC(=O)NC1NC(=O)NC1=O.OCCCNC(=O)C(C(CO)(C)C)O
EC Number:
615-324-3
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.175g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
363.371g/mol
Monoisotopic Mass:
363.175g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
203A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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