D-myo-Inositol, 1-[(2R)-2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 3,5-bis(dihydrogen phosphate)
CAS Registry Number®
214282-36-7
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CAS Name
D-myo-Inositol, 1-[(2R)-2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 3,5-bis(dihydrogen phosphate)Molecular Formula
C41H81O19P3Molecular Mass
970.99Cite this Page
D-myo-Inositol, 1-[(2R)-2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 3,5-bis(dihydrogen phosphate). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=214282-36-7 (retrieved ) (CAS RN: 214282-36-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C41H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-41-37(45)39(58-61(47,48)49)36(44)40(38(41)46)59-62(50,51)52/h33,36-41,44-46H,3-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/t33-,36-,37-,38-,39-,40+,41-/m1/s1
InChIKey
InChIKey=UZMPYXSDDZXMAI-LNNNXZRXSA-N
SMILES
O(P(OC[C@H](OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(=O)O)[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H](O)[C@H](OP(=O)(O)O)[C@H]1O
Canonical SMILES
O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1O)CCCCCCCCCCCCCCC
Other Names for this Substance
- D-myo-Inositol, 1-[(2R)-2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 3,5-bis(dihydrogen phosphate)
