D-myo-Inositol, 2,3,5,6-tetrakis(dihydrogen phosphate) 1,4-bis(trihydrogen diphosphate)

CAS Registry Number®

148077-19-4

CAS Name

D-myo-Inositol, 2,3,5,6-tetrakis(dihydrogen phosphate) 1,4-bis(trihydrogen diphosphate)

Molecular Formula

C6H20O30P8

Molecular Mass

820.00

Cite this Page

D-myo-Inositol, 2,3,5,6-tetrakis(dihydrogen phosphate) 1,4-bis(trihydrogen diphosphate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=148077-19-4 (retrieved 2024-11-29) (CAS RN: 148077-19-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)6(34-44(27,28)36-42(22,23)24)4(32-40(16,17)18)3(31-39(13,14)15)5(1)33-43(25,26)35-41(19,20)21/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5+,6+/m1/s1

InChIKey

InChIKey=JPRSGEHICBPFDB-RTPHHQFDSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • D-myo-Inositol, 2,3,5,6-tetrakis(dihydrogen phosphate) 1,4-bis(trihydrogen diphosphate)

CAS INSIGHTSTM
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