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1448358-08-4 | (R,S,R)-2-Acetyl-4-(1,2,3,4-tetrahydroxybutyl)-imidazole-13C6
CAS No: 1448358-08-4 Catalog No: AG01E25C MDL No:
Product Description
Catalog Number:
AG01E25C
Chemical Name:
(R,S,R)-2-Acetyl-4-(1,2,3,4-tetrahydroxybutyl)-imidazole-13C6
CAS Number:
1448358-08-4
IUPAC Name:
1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxy(1,2,3,4-13C4)butyl]-(4,5-13C2)1H-imidazol-2-yl]ethanone
InChI:
InChI=1S/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)/t6-,7-,8-/m1/s1/i2+1,3+1,5+1,6+1,7+1,8+1
InChI Key:
CQSIXFHVGKMLGQ-TXJWGFBCSA-N
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
236.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
6
Molecular Weight:
236.174g/mol
Monoisotopic Mass:
236.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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