9SW

methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid

Created:2017-07-09
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count2
Bond Count68
Aromatic Bond Count0
2D diagram of 9SW

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Chemical Component Summary

Namemethoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid
Systematic Name (OpenEye OEToolkits)methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid
FormulaC21 H41 O6 P
Molecular Weight420.52
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CCCCCCCCCCCC[CH](CC[P](O)(=O)OC)[CH](C(C)=O)C(=O)OC
SMILESOpenEye OEToolkits2.0.6CCCCCCCCCCCCC(CCP(=O)(O)OC)C(C(=O)C)C(=O)OC
Canonical SMILESCACTVS3.385 CCCCCCCCCCCC[C@H](CC[P](O)(=O)OC)[C@H](C(C)=O)C(=O)OC
Canonical SMILESOpenEye OEToolkits2.0.6 CCCCCCCCCCCC[C@H](CCP(=O)(O)OC)[C@H](C(=O)C)C(=O)OC
InChIInChI1.03 InChI=1S/C21H41O6P/c1-5-6-7-8-9-10-11-12-13-14-15-19(16-17-28(24,25)27-4)20(18(2)22)21(23)26-3/h19-20H,5-17H2,1-4H3,(H,24,25)/t19-,20+/m1/s1
InChIKeyInChI1.03 VBHWHUMRWJDMHN-UXHICEINSA-N

Related Resource References

Resource NameReference
PubChem 132274387