46E

(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate

Created:2015-02-10
Last modified:  2016-07-20

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Chemical Details

Formal Charge0
Atom Count109
Chiral Atom Count1
Bond Count108
Aromatic Bond Count0
2D diagram of 46E

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Chemical Component Summary

Name(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate
Systematic Name (OpenEye OEToolkits)[(2R)-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-tetradecanoyloxy-propyl] tetradecanoate
FormulaC33 H66 N O8 P
Molecular Weight635.853
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCC
SMILESCACTVS3.385CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC
SMILESOpenEye OEToolkits1.9.2CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC
Canonical SMILESCACTVS3.385 CCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC
Canonical SMILESOpenEye OEToolkits1.9.2 CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC
InChIInChI1.03 InChI=1S/C33H66NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30,34H2,1-2H3,(H,37,38)/t31-/m1/s1
InChIKeyInChI1.03 NEZDNQCXEZDCBI-WJOKGBTCSA-N

Related Resource References

Resource NameReference
PubChem 9852308, 15061529