D-myo-Inositol 3,4,5,6-tetraphosphate

CAS Registry Number®

112791-61-4
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CAS Name

D-myo-Inositol 3,4,5,6-tetraphosphate

Molecular Formula

C6H16O18P4

Molecular Mass

500.08

Cite this Page

D-myo-Inositol 3,4,5,6-tetraphosphate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=112791-61-4 (retrieved 2024-09-19) (CAS RN: 112791-61-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4-,5+,6+/m0/s1

InChIKey

InChIKey=MRVYFOANPDTYBY-UZAAGFTCSA-N

SMILES

O(P(=O)(O)O)[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H]1OP(=O)(O)O

Canonical SMILES

O=P(O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O

Other Names for this Substance

  • D-myo-Inositol, 3,4,5,6-tetrakis(dihydrogen phosphate)
  • D-myo-Inositol 3,4,5,6-tetraphosphate

Deleted or Replaced CAS Registry Numbers

116403-73-7, 768350-95-4