Cas no 91840-07-2 (myo-Inositol,2,4,5-tris(dihydrogen phosphate) (9CI))
91840-07-2 structure
Product Name:myo-Inositol,2,4,5-tris(dihydrogen phosphate) (9CI)
CAS No:91840-07-2
MF:C6H15O15P3
MW:420.095586061478
CID:811920
Update Time:2022-07-26
myo-Inositol,2,4,5-tris(dihydrogen phosphate) (9CI) Chemical and Physical Properties
Names and Identifiers
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- myo-Inositol,2,4,5-tris(dihydrogen phosphate) (9CI)
- inositol 2,4,5-trisphosphate
-
- Inchi: 1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)
- InChI Key: MMWCIQZXVOZEGG-UHFFFAOYSA-N
- SMILES: OC1C(O)C(OP(O)(O)=O)C(OP(O)(O)=O)C(O)C1OP(O)(O)=O
Computed Properties
- Exact Mass: 419.962379
- Monoisotopic Mass: 419.962379
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 9
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 24
- Rotatable Bond Count: 6
- Complexity: 574
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 261
Experimental Properties
- Density: 2.25
- Boiling Point: 877.6°Cat760mmHg
- Flash Point: 484.5°C
- Refractive Index: 1.635
myo-Inositol,2,4,5-tris(dihydrogen phosphate) (9CI) Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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