Products for Research Use Only

Dextrorotation nimorazole phosphate ester 5mg

CAT: 0628-A18087-5Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A18087-5Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1124347-33-6

Chemical Information

Dextrorotation nimorazole phosphate ester
CAS Number1124347-33-6
PubChem CID25191609
IUPAC Name[(2R)-1-(2-methyl-5-nitroimidazol-1-yl)-3-morpholin-4-ylpropan-2-yl] dihydrogen phosphate
Molecular FormulaC11H19N4O7P
Molecular Weight350.27
XLogP-3.7
Topological Polar Surface Area143
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity450
SMILES
CC1=NC=C(N1C[C@@H](CN2CCOCC2)OP(=O)(O)O)[N+](=O)[O-]
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
InChIKey
CCDHHPOGWLYHAX-SNVBAGLBSA-N
Chemical Structure
2D Structure
2D structure of Dextrorotation nimorazole phosphate ester
CAS: 1124347-33-6
CID: 25191609
Formula: C11H19N4O7P
MW: 350.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight350.27
XLogP3-3.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass350.09913596
Monoisotopic Mass350.09913596
Topological Polar Surface Area143 Ų
Heavy Atom Count23
Formal Charge0
Complexity450
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes