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1R1

Summary
Name:hexadecyl hydrogen (R)-(3-azidopropyl)phosphonate
Formula:C19 H40 N3 O3 P
Formal charge:0
Formula weight:389.513 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01hexadecyl hydrogen (R)-(3-azidopropyl)phosphonate
OpenEye OEToolkits1.7.63-azidopropyl(hexadecoxy)phosphinic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01[N-]=[N+]=N\CCCP(=O)(OCCCCCCCCCCCCCCCC)O
InChIInChI1.03InChI=1S/C19H40N3O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-26(23,24)19-16-17-21-22-20/h2-19H2,1H3,(H,23,24)
InChIKeyInChI1.03HEAPPSCQSYJNSZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CCCCCCCCCCCCCCCCO[P](O)(=O)CCCN=[N+]=[N-]
SMILESCACTVS3.370CCCCCCCCCCCCCCCCO[P](O)(=O)CCCN=[N+]=[N-]
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O
SMILESOpenEye OEToolkits1.7.6CCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O

224572

PDB entries from 2024-09-04

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