Cas no 34405-73-7 (D-Fructose,6-(dihydrogen phosphate), calcium salt (1:?))
34405-73-7 structure
Product Name:D-Fructose,6-(dihydrogen phosphate), calcium salt (1:?)
CAS No:34405-73-7
MF:C6H11CaO9P
MW:298.197902917862
CID:309495
PubChem ID:53398766
Update Time:2025-04-19
D-Fructose,6-(dihydrogen phosphate), calcium salt (1:?) Chemical and Physical Properties
Names and Identifiers
-
- D-Fructose,6-(dihydrogen phosphate), calcium salt (1:?)
- calcium (3S,4R,5R)-4,5-dihydroxy-2-oxo-6-(phosphonooxy)hexane-1,3-diolate (non-preferred name)
- D-Fructose, 6-(dihydrogen phosphate) ester, calcium salt
- D-Fructose, 6-(dihydrogen phosphate), calcium salt
- Fructose, 6-(dihydrogen phosphate), calcium salt, D-
- 34405-73-7
- DTXSID90955954
- Calcium 6-O-phosphonatohex-2-ulofuranose
-
- Inchi： 1S/C6H13O9P.Ca/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13;/h3-5,7-10H,1-2H2,(H2,11,12,13);/q;+2/p-2
- InChI Key： IJTPEQICHQHSTR-UHFFFAOYSA-L
- SMILES： [Ca+2].P(=O)([O-])([O-])OCC1C(C(C(CO)(O)O1)O)O
Computed Properties
- Exact Mass: 297.97666
- Monoisotopic Mass: 297.97666
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 273
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 170
Experimental Properties
- Boiling Point: 697.7°Cat760mmHg
- Flash Point: 375.7°C
D-Fructose,6-(dihydrogen phosphate), calcium salt (1:?) Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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