7YH

2-[[(2R)-2-(3-bromanyl-5-iodanyl-phenyl)carbonyloxy-3-tetradecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Created: 2021-11-02
Last modified:  2022-02-16

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Chemical Details

Formal Charge1
Atom Count90
Chiral Atom Count1
Bond Count90
Aromatic Bond Count6
2D diagram of 7YH
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Chemical Component Summary

Name2-[[(2R)-2-(3-bromanyl-5-iodanyl-phenyl)carbonyloxy-3-tetradecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
Systematic Name (OpenEye OEToolkits)2-[[(2~{R})-2-(3-bromanyl-5-iodanyl-phenyl)carbonyloxy-3-tetradecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
FormulaC29 H49 Br I N O8 P
Molecular Weight777.483
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)c1cc(Br)cc(I)c1
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)c1cc(cc(c1)I)Br
Canonical SMILESCACTVS3.385 CCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)c1cc(Br)cc(I)c1
Canonical SMILESOpenEye OEToolkits2.0.7 CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)c1cc(cc(c1)I)Br
InChIInChI1.03 InChI=1S/C29H48BrINO8P/c1-5-6-7-8-9-10-11-12-13-14-15-16-28(33)37-22-27(23-39-41(35,36)38-18-17-32(2,3)4)40-29(34)24-19-25(30)21-26(31)20-24/h19-21,27H,5-18,22-23H2,1-4H3/p+1/t27-/m1/s1
InChIKeyInChI1.03 RDKBFTQTYYTUKD-HHHXNRCGSA-O

Related Resource References

Resource NameReference
PubChem 162624764