Cas no 103476-30-8 (D-myo-Inositol,1,4-bis(dihydrogen phosphate), tripotassium salt (9CI))
103476-30-8 structure
Product Name:D-myo-Inositol,1,4-bis(dihydrogen phosphate), tripotassium salt (9CI)
CAS No:103476-30-8
MF:C6H13KO12P2
MW:378.206045866013
CID:125683
PubChem ID:24895904
Update Time:2025-04-18
D-myo-Inositol,1,4-bis(dihydrogen phosphate), tripotassium salt (9CI) Chemical and Physical Properties
Names and Identifiers
-
- D-myo-Inositol,1,4-bis(dihydrogen phosphate), tripotassium salt (9CI)
- potassium,[(2R,3R,5S,6R)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl] hydrogen phosphate
- D-myo-inositol 1,4-bis-phosphate*potassium
- potassium [(2R,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-phosphonooxy-cyclohexyl] hydrogen phosphate
- D-myo-inositol 1,4-diphosph. pot. salt
- D-myo-inositol 1,4-diphosphate potassium salt
- D-MYO-INOSITOL 1,4-BIS-PHOSPHATE POTASSIUM SALT
- D-MYO-INOSITOL 1,4-DIPHOSPH. POT. SALT, BOV. BRAIN, 100 UG*
- potassium;[(2R,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl] hydrogen phosphate
- DTXSID60635731
- D-myo-Inositol 1,4-bisphosphate potassium salt, from bovine brain, >=98% (TLC)
- 103476-30-8
- Potassium (2R,3R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl hydrogen phosphate
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- MDL： MFCD00144214
- Inchi： 1S/C6H14O12P2.K/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13;/h1-10H,(H2,11,12,13)(H2,14,15,16);/q;+1/p-1/t1-,2-,3-,4+,5?,6?;/m1./s1
- InChI Key： UEZPJWQBOCTMMK-LJBSMHGXSA-M
- SMILES： [K+].P(=O)(O)([O-])OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)O)OP(=O)(O)O)O)O
Computed Properties
- Exact Mass: 377.95189
- Monoisotopic Mass: 377.95193133g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 424
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 217?2
Experimental Properties
- PSA: 217.27
- LogP: -3.16240
D-myo-Inositol,1,4-bis(dihydrogen phosphate), tripotassium salt (9CI) Security Information
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- FLUKA BRAND F CODES：10
- Storage Condition：?20°C
D-myo-Inositol,1,4-bis(dihydrogen phosphate), tripotassium salt (9CI) Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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