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Substance Name: myo-Inositol 2-(3-aminopropyl hydrogen phosphate) 4,5-bisphosphate
RN: 145775-12-8
InChIKey: ZPXFBSFPSBUYIB-HSBQYEJYSA-N

Molecular Formula

  • C9-H22-N-O15-P3.4Na

Molecular Weight

  • 1988.6124
 
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Names and Synonyms

Name of Substance

  • myo-Inositol 2-(3-aminopropyl hydrogen phosphate) 4,5-bisphosphate

Synonym

  • Miap-4,5-bis(phosphate) tetrasodium salt

Systematic Names

  • DL-myo-Inositol, 2-(3-aminopropyl hydrogen phosphate)4,5-bis(dihydrogen phosphate), tetrasodium salt
  • myo-Inositol, 2-(3-aminopropyl hydrogen phosphate) 4,5-bis(dihydrogen phosphate), tetrasodium salt

Registry Numbers

CAS Registry Number

  • 145775-12-8

System Generated Number

  • 0145775128

Molecular Formulas

Molecular Formula

  • C9-H22-N-O15-P3.4Na

Molecular Formula Fragments

  • C9-H22-N-O15-P3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/4C9H19NO15P3.4Na/c4*10-2-1-3-22-28(20,21)25-7-4(11)5(12)8(23-26(14,15)16)9(6(7)13)24-27(17,18)19;;;;/h4*4-9H,1-3,10H2,(H,20,21)(H2,14,15,16)(H2,17,18,19);;;;/q4*-3;4*+1/t4*4-,5-,6-,7-,8+,9+;;;;/m1111..../s1

InChIKey

ZPXFBSFPSBUYIB-HSBQYEJYSA-N

Smiles

C(CN)COP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1[O-])OP(=O)(O)O)OP(=O)(O)O)[O-])[O-].C(CN)COP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1[O-])OP(=O)(O)O)OP(=O)(O)O)[O-])[O-].C(CN)COP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1[O-])OP(=O)(O)O)OP(=O)(O)O)[O-])[O-].C(CN)COP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1[O-])OP(=O)(O)O)OP(=O)(O)O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]