Cas no 70981-46-3 (myo-Inositol,hexakis(dihydrogen phosphate), dodecapotassium salt (9CI))
70981-46-3 structure
Product Name:myo-Inositol,hexakis(dihydrogen phosphate), dodecapotassium salt (9CI)
CAS No:70981-46-3
MF:C6H18K12O24P6
MW:1129.21490049362
CID:573767
PubChem ID:156157
Update Time:2025-04-19
myo-Inositol,hexakis(dihydrogen phosphate), dodecapotassium salt (9CI) Chemical and Physical Properties
Names and Identifiers
-
- myo-Inositol,hexakis(dihydrogen phosphate), dodecapotassium salt (9CI)
- dodecapotassium,(2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate
- dodecapotassium;(2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate
- myo-Inositol, hexakis(dihydrogen phosphate), dodecapotassium salt
- myo-Inositol hexakis(dihydrogen phosphate) dodecapotassium salt
- Phytic acid dodecapotassium salt
- 70981-46-3
- Dodecapotassium phytate
-
- Inchi： 1S/C6H18O24P6.12K/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15;;;;;;;;;;;;/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;;;;;;;;/q;12*+1
- InChI Key： ZWPAJTZEGKKYAY-UHFFFAOYSA-N
- SMILES： [K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].P(=O)(O)(O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
Computed Properties
- Exact Mass: 1127.426
- Monoisotopic Mass: 1127.426
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 12
- Hydrogen Bond Acceptor Count: 24
- Heavy Atom Count: 48
- Rotatable Bond Count: 12
- Complexity: 818
- Covalently-Bonded Unit Count: 13
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 401?2
Experimental Properties
- Boiling Point: 1190.7°C at 760 mmHg
- Flash Point: 673.9°C
- PSA: 459.42000
- LogP: -3.13260
myo-Inositol,hexakis(dihydrogen phosphate), dodecapotassium salt (9CI) Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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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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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
70981-46-3 (myo-Inositol,hexakis(dihydrogen phosphate), dodecapotassium salt (9CI)) 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)
- 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)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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