Cas no 23410-61-9 (D-myo-Inositol,1,2-bis(dihydrogen phosphate))
23410-61-9 structure
Product Name:D-myo-Inositol,1,2-bis(dihydrogen phosphate)
CAS No:23410-61-9
MF:C6H14O12P2
MW:340.115684986115
CID:271491
PubChem ID:161421
Update Time:2025-04-19
D-myo-Inositol,1,2-bis(dihydrogen phosphate) Chemical and Physical Properties
Names and Identifiers
-
- D-myo-Inositol,1,2-bis(dihydrogen phosphate)
- SCHEMBL2044896
- myo-Inositol 1,2-bisphosphate
- Inositol 1,2-bisphosphate
- D-myo-Inositol, 1,2-bis(dihydrogen phosphate)
- [(1R,2S,3R,4R,5S,6S)-2,3,4,5-tetrahydroxy-6-phosphonooxycyclohexyl] dihydrogen phosphate
- Inositol 3,4-diphosphate
- 23410-61-9
-
- Inchi： 1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3+,4+,5-,6+/m1/s1
- InChI Key： MCKAJXMRULSUKI-JIGFOQOZSA-N
- SMILES： P(=O)(O)(O)O[C@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)(O)O)O)O)O)O
Computed Properties
- Exact Mass: 339.996
- Monoisotopic Mass: 339.996
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 388
- 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: 214A^2
- XLogP3: -5.9
Experimental Properties
- Density: 2.15
- Boiling Point: 686.8°Cat760mmHg
- Flash Point: 369.1°C
- Refractive Index: 1.641
D-myo-Inositol,1,2-bis(dihydrogen phosphate) Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
23410-61-9 (D-myo-Inositol,1,2-bis(dihydrogen phosphate)) Related Products
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- 83-86-3(Fytic acid)
- 112571-69-4(D-myo-Inositol 1,4,5-Trisphosphate Hexaammonium Salt)
- 135269-51-1(D-myo-Inositol,1,3,4,5-tetrakis(dihydrogen phosphate), potassium salt (9CI))
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