HY4

?

Summary

Name:(2R)-2,3-dibutoxypropyl hydrogen (S)-propylphosphonate
Formula:C14 H31 O5 P
Formal charge:0
Molecular weight:310.367 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-2,3-dibutoxypropyl hydrogen (S)-propylphosphonate
OpenEye OEToolkits1.7.6[(2R)-2,3-dibutoxypropoxy]-propyl-phosphinic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(OCC(OCCCC)COCCCC)(O)CCC
InChIInChI1.03InChI=1S/C14H31O5P/c1-4-7-9-17-12-14(18-10-8-5-2)13-19-20(15,16)11-6-3/h14H,4-13H2,1-3H3,(H,15,16)/t14-/m1/s1
InChIKeyInChI1.03WAMWNDWVNQLPHK-CQSZACIVSA-N
SMILES_CANONICALCACTVS3.385CCCCOC[C@H](CO[P](O)(=O)CCC)OCCCC
SMILESCACTVS3.385CCCCOC[CH](CO[P](O)(=O)CCC)OCCCC
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCCOC[C@H](COP(=O)(CCC)O)OCCCC
SMILESOpenEye OEToolkits1.7.6CCCCOCC(COP(=O)(CCC)O)OCCCC
PDBj@FacebookPDBj@TwitterwwPDBwwPDB Foundation

Copyright © 2013-2018 Protein Data Bank Japan