IY8

methoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinous acid

Created:2022-04-20
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count61
Chiral Atom Count2
Bond Count60
Aromatic Bond Count0
2D diagram of IY8

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Chemical Component Summary

Namemethoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinous acid
Systematic Name (OpenEye OEToolkits)methoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinic acid
FormulaC19 H35 O6 P
Molecular Weight390.451
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385COC(=O)[CH]([CH](CCCCCCCC=CC)CC[P](O)(=O)OC)C(C)=O
SMILESOpenEye OEToolkits2.0.7CC=CCCCCCCCC(CCP(=O)(O)OC)C(C(=O)C)C(=O)OC
Canonical SMILESCACTVS3.385 COC(=O)[C@H]([C@H](CCCCCCC/C=C/C)CC[P](O)(=O)OC)C(C)=O
Canonical SMILESOpenEye OEToolkits2.0.7 C/C=C/CCCCCCC[C@H](CCP(=O)(O)OC)[C@H](C(=O)C)C(=O)OC
InChIInChI1.06 InChI=1S/C19H35O6P/c1-5-6-7-8-9-10-11-12-13-17(14-15-26(22,23)25-4)18(16(2)20)19(21)24-3/h5-6,17-18H,7-15H2,1-4H3,(H,22,23)/b6-5+/t17-,18+/m1/s1
InChIKeyInChI1.06 KFPPYXMTKZSOKI-VGRIIWOTSA-N

Related Resource References

Resource NameReference
PubChem 165111561