Cas no 47055-78-7 ((2,3,5,6-tetrahydroxy-4-phosphonooxy-cyclohexoxy)phosphonic acid)
47055-78-7 structure
Product Name:(2,3,5,6-tetrahydroxy-4-phosphonooxy-cyclohexoxy)phosphonic acid
CAS No:47055-78-7
MF:C6H14O12P2
MW:340.115684986115
CID:930683
PubChem ID:805
Update Time:2025-04-19
(2,3,5,6-tetrahydroxy-4-phosphonooxy-cyclohexoxy)phosphonic acid Chemical and Physical Properties
Names and Identifiers
-
- (2,3,5,6-tetrahydroxy-4-phosphonooxy-cyclohexoxy)phosphonic acid
- 1D-Myo-inositol 1,4-bisphosphate
- inositol 1,4-bis(phosphate)
- D-myo-Inositol-1,4-bisphosphoric acid
- IP2
- L-myo-Inositol 3,6-bisphosphoric acid
- myo-Inositol 1,4-bisphosphate
- (2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl) dihydrogen phosphate
- NS00015242
- (2,3,5,6-Tetrahydroxy-4-phosphonooxycyclohexyl)dihydrogen phosphate
- SCHEMBL702505
- 47055-78-7
-
- Inchi： 1S/C6H14O12P2/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)
- InChI Key： PELZSPZCXGTUMR-UHFFFAOYSA-N
- SMILES： P(=O)(O)(O)OC1C(C(C(C(C1O)O)OP(=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: 372
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- 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: 725.9°C at 760 mmHg
- Flash Point: 392.8°C
- Refractive Index: 1.641
- PSA: 234.06000
- LogP: -3.60060
(2,3,5,6-tetrahydroxy-4-phosphonooxy-cyclohexoxy)phosphonic acid Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
47055-78-7 ((2,3,5,6-tetrahydroxy-4-phosphonooxy-cyclohexoxy)phosphonic acid) Related Products
- 37288-11-2(Phytase)
- 129832-03-7(phytic acid dipotassium)
- 145843-69-2(D-myo-Inositol-1,3,4,5-tetrakisphosphate, octapotassium salt)
- 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))
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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