AG008R8Y

103213-33-8 | D-Fructose-1,6-diphoshate calcium salt

AG008R8Y

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CAS Number	103213-33-8
Catalog Number	AG008R8Y(AGN-PC-0OS94P)
Chemical Name	D-Fructose-1,6-diphoshate calcium salt
IUPAC Name	calcium;[(2R,3R,4S)-2,3,4-trihydroxy-5-oxo-6-phosphonooxyhexyl] phosphate
InChI	InChI=1S/C6H14O12P2.Ca/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/p-2/t3-,5-,6-;/m1./s1
InChI Key	QIUINQIXDJNFJN-BAOOBMCLSA-L
MDL Number	MFCD00135874
Molecular Formula	C6H12CaO12P2
Molecular Weight	378.1778
SMILES	O=P([O-])([O-])OCC1(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O.[Ca+]
Synonyms	103213-33-8, Fructose-1,6-diphosphate calcium salt, D-Fructose-1,6-diphoshate calcium salt, D-Fructose 1,6-diphosphate monocalcium salt, C6H12O12P2.Ca, oxo-6-(phosphonooxy)hexyl phosphate, 7516AF, D-Fructose-1,6-diphosphate monocalcium salt, FT-0631023, calcium (2R,3R,4S)-2,3,4-trihydroxy-5-, C-21293, W-200689, calcium (2R,3R,4S)-2,3,4-trihydroxy-5-oxo-6-(phosphonooxy)hexyl phosphate, Fmoc-Cys(Trt)-OH, QIUINQIXDJNFJN-BAOOBMCLSA-L, 2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-3-(tritylthio)propanoic acid,

Complexity	399
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	377.943g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	378.176g/mol
Monoisotopic Mass	377.943g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	217A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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