I4D

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Summary

Name:D-MYO-INOSITOL-4-PHOSPHATE
Formula:C6 H13 O9 P
Formal charge:0
Molecular weight:260.136 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl dihydrogen phosphate
OpenEye OEToolkits1.9.2[(2R,3S,5S,6S)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl] dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(O)(OC1C(O)C(O)C(O)C(O)C1O)O
InChIInChI1.03InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3-,4+,5-,6-/m0/s1
InChIKeyInChI1.03INAPMGSXUVUWAF-CNWJWELYSA-N
SMILES_CANONICALCACTVS3.385O[C@H]1[C@H](O)[C@@H](O)[C@H](O[P](O)(O)=O)[C@@H](O)[C@H]1O
SMILESCACTVS3.385O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.9.2[C@H]1([C@H](C([C@H]([C@H](C1O)O)O)OP(=O)(O)O)O)O
SMILESOpenEye OEToolkits1.9.2C1(C(C(C(C(C1O)O)OP(=O)(O)O)O)O)O