D-myo-Inositol, 1,4,5-tris[bis[(1-oxobutoxy)methyl] phosphate]

CAS Registry Number®

209479-81-2

CAS Name

D-myo-Inositol, 1,4,5-tris[bis[(1-oxobutoxy)methyl] phosphate]

Molecular Formula

C36H63O27P3

Molecular Mass

1020.79

Cite this Page

D-myo-Inositol, 1,4,5-tris[bis[(1-oxobutoxy)methyl] phosphate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=209479-81-2 (retrieved 2024-11-24) (CAS RN: 209479-81-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H63O27P3/c1-7-13-25(37)49-19-55-64(46,56-20-50-26(38)14-8-2)61-34-31(43)32(44)35(62-65(47,57-21-51-27(39)15-9-3)58-22-52-28(40)16-10-4)36(33(34)45)63-66(48,59-23-53-29(41)17-11-5)60-24-54-30(42)18-12-6/h31-36,43-45H,7-24H2,1-6H3/t31-,32+,33+,34-,35-,36-/m1/s1

InChIKey

InChIKey=PVEVFIAVCISJSO-FOJCDXFYSA-N

SMILES

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

Canonical SMILES

O=C(OCOP(=O)(OCOC(=O)CCC)OC1C(O)C(O)C(OP(=O)(OCOC(=O)CCC)OCOC(=O)CCC)C(OP(=O)(OCOC(=O)CCC)OCOC(=O)CCC)C1O)CCC

Other Names for this Substance

  • D-myo-Inositol, 1,4,5-tris[bis[(1-oxobutoxy)methyl] phosphate]

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