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4C7

Summary
Name:(3R,7S)-3,7,11-trimethyldodecyl trihydrogen diphosphate
Formula:C15 H34 O7 P2
Formal charge:0
Formula weight:388.374 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3R,7S)-3,7,11-trimethyldodecyl trihydrogen diphosphate
OpenEye OEToolkits1.9.2phosphono [(3R,7S)-3,7,11-trimethyldodecyl] hydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(CC(CCCC(C)CCCC(C)C)C)OP(OP(O)(O)=O)(O)=O
InChIInChI1.03InChI=1S/C15H34O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h13-15H,5-12H2,1-4H3,(H,19,20)(H2,16,17,18)/t14-,15+/m0/s1
InChIKeyInChI1.03QLJFEPYMTKDKMH-LSDHHAIUSA-N
SMILES_CANONICALCACTVS3.385CC(C)CCC[C@H](C)CCC[C@@H](C)CCO[P](O)(=O)O[P](O)(O)=O
SMILESCACTVS3.385CC(C)CCC[CH](C)CCC[CH](C)CCO[P](O)(=O)O[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.9.2C[C@H](CCC[C@@H](C)CCOP(=O)(O)OP(=O)(O)O)CCCC(C)C
SMILESOpenEye OEToolkits1.9.2CC(C)CCCC(C)CCCC(C)CCOP(=O)(O)OP(=O)(O)O

225946

건을2024-10-09부터공개중

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