CAS No.6055-82-9,D-Fructose-1,6-diphosphate dicalcium salt Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	6055-82-9
Name:	D-Fructose-1,6-diphosphate dicalcium salt

Formula:	C₆H₁₄Ca₂O₁₂P₂
Molecular Weight:	420.2399
Synonyms:	Fructose,1,6-diphosphate, dicalcium salt, D- (8CI);Calcium fructose diphosphate;Candiolin;
EINECS:	227-979-9
Boiling Point:	819.8 °C at 760 mmHg
Flash Point:	449.6 °C
Solubility:	Soluble in water
PSA:	242.22000
LogP:	-1.39040

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Specification

The CAS register number of D-Fructose,1,6-bis(dihydrogen phosphate), calcium salt (1:2) is 6055-82-9. It also can be called as D-Fructose-1,6-diphosphate dicalcium salt and the IUPAC name about this chemical is dicalcium [(2S,3S,4R)-2,3,4-trihydroxy-5-oxo-6-phosphonatooxyhexyl]phosphate. The molecular formula about this chemical is C₆H₁₄Ca₂O₁₂P₂ and the molecular weight is 420.2399. It belongs to the following product categories which include Substrates; Dextrins & Sugar & Carbohydrates and so on.

Physical properties about D-Fructose,1,6-bis(dihydrogen phosphate), calcium salt (1:2) are: (1)#H bond acceptors: 12; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 12; (4)Polar Surface Area: 186.9Å²; (5)H-Bond Donor: 3; (6)H-Bond Acceptor: 12; (7)Rotatable Bond Count: 7; (8)Tautomer Count: 5; (9)Exact Mass: 415.889931; (10)MonoIsotopic Mass: 415.889931; (11)Topological Polar Surface Area: 223; (12)Heavy Atom Count: 22; (13)Complexity: 387; (14)Defined Atom StereoCenter Count: 3; (15)Covalently-Bonded Unit Count: 3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P2(OCC(=O)C(O)C(O)C(O)COP1(=O)O[Ca]O1)O[Ca]O2
(2)InChI: InChI=1/C6H14O12P2.2Ca/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16;;/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16);;/q;2*+2/p-4/rC6H10Ca2O12P2/c9-3(1-15-21(13)17-7-18-21)5(11)6(12)4(10)2-16-22(14)19-8-20-22/h3,5-6,9,11-12H,1-2H2
(3)InChIKey: MKSZTTCFYSGQHA-FJENRXMBAC
(4)Std. InChI: InChI=1S/C6H14O12P2.2Ca/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16;;/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16);;/q;2*+2/p-4
(5)Std. InChIKey: MKSZTTCFYSGQHA-UHFFFAOYSA-J