Home Other Building Blocks Dextrorotation nimorazole phosphate ester

Dextrorotation nimorazole phosphate ester

CAS No.:
1124347-33-6
Catalog Number:
AG008TLR
Molecular Formula:
C11H19N4O7P
Molecular Weight:
350.2649
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Product Description
Catalog Number:
AG008TLR
Chemical Name:
Dextrorotation nimorazole phosphate ester
CAS Number:
1124347-33-6
Molecular Formula:
C11H19N4O7P
Molecular Weight:
350.2649
MDL Number:
MFCD29472251
IUPAC Name:
[(2R)-1-(2-methyl-5-nitroimidazol-1-yl)-3-morpholin-4-ylpropan-2-yl] dihydrogen phosphate
InChI:
InChI=1S/C11H19N4O7P/c1-9-12-6-11(15(16)17)14(9)8-10(22-23(18,19)20)7-13-2-4-21-5-3-13/h6,10H,2-5,7-8H2,1H3,(H2,18,19,20)/t10-/m1/s1
InChI Key:
CCDHHPOGWLYHAX-SNVBAGLBSA-N
SMILES:
[O-][N+](=O)c1cnc(n1C[C@H](OP(=O)(O)O)CN1CCOCC1)C
Properties
Complexity:
450  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
350.099g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
350.268g/mol
Monoisotopic Mass:
350.099g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.7  
Properties