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157772-28-6 | L-Histidine, 1-(tetrahydro-5-hydroxy-2-pentyl-3-furanyl)-
CAS No: 157772-28-6 Catalog No: AG001PP5 MDL No:
Product Description
Catalog Number:
AG001PP5
Chemical Name:
L-Histidine, 1-(tetrahydro-5-hydroxy-2-pentyl-3-furanyl)-
CAS Number:
157772-28-6
Molecular Formula:
C15H25N3O4
Molecular Weight:
311.3767
IUPAC Name:
(2S)-2-amino-3-[1-(5-hydroxy-2-pentyloxolan-3-yl)imidazol-4-yl]propanoic acid
InChI:
InChI=1S/C15H25N3O4/c1-2-3-4-5-13-12(7-14(19)22-13)18-8-10(17-9-18)6-11(16)15(20)21/h8-9,11-14,19H,2-7,16H2,1H3,(H,20,21)/t11-,12?,13?,14?/m0/s1
InChI Key:
GFGGTECYJNLUPH-YWLNHKIPSA-N
SMILES:
CCCCCC1OC(CC1n1cnc(c1)C[C@@H](C(=O)O)N)O
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
311.185g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
311.382g/mol
Monoisotopic Mass:
311.185g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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