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Home > Imidazoles > 210241-69-3
210241-69-3 | 1,2,3-Propanetriol, 1-(1H-imidazol-4-yl)-, 3-(dihydrogen phosphate), monohydrate, (1S,2R)- (9CI)
CAS No: 210241-69-3 Catalog No: AG002KNW MDL No:
Product Description
Catalog Number:
AG002KNW
Chemical Name:
1,2,3-Propanetriol, 1-(1H-imidazol-4-yl)-, 3-(dihydrogen phosphate), monohydrate, (1S,2R)- (9CI)
CAS Number:
210241-69-3
Molecular Formula:
C6H11N2O6P
Molecular Weight:
238.1351
IUPAC Name:
[2,3-dihydroxy-3-(4H-imidazol-4-yl)propyl] dihydrogen phosphate
InChI:
InChI=1S/C6H11N2O6P/c9-5(2-14-15(11,12)13)6(10)4-1-7-3-8-4/h1,3-6,9-10H,2H2,(H2,11,12,13)
InChI Key:
SIVIZMCKQNFBMT-UHFFFAOYSA-N
SMILES:
OC(C(C1N=CN=C1)O)COP(=O)(O)O
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
238.136g/mol
Monoisotopic Mass:
238.035g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5
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