AG008IEG

84366-81-4 | Flavin adenine dinucleotide disodium salt hydrate

AG008IEG

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CAS Number	84366-81-4
Catalog Number	AG008IEG(AGN-PC-0URFGV)
Chemical Name	Flavin adenine dinucleotide disodium salt hydrate
IUPAC Name	disodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] phosphate
InChI	InChI=1S/C27H33N9O15P2.2Na/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36;;/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43);;/q;2*+1/p-2/t14-,15+,16+,19-,20+,21+,26+;;/m0../s1
InChI Key	XLRHXNIVIZZOON-WFUPGROFSA-L
MDL Number	MFCD08277021
Molecular Formula	C27H31N9Na2O15P2
Molecular Weight	829.5134
SMILES	O=c1[nH]c(=O)c2c(n1)n(C[C@@H]([C@@H]([C@@H](COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc3c1ncnc3N)[O-])[O-])O)O)O)c1c(n2)cc(c(c1)C)C.[Na+].[Na+]
UNII	67U7UHJ04C
Synonyms	Dinucleotide, Flavin-Adenine, FAD, Flavin Adenine Dinucleotide, Flavin-Adenine Dinucleotide, Flavitan, 84366-81-4, Flavin adenine dinucleotide disodium, UNII-67U7UHJ04C, Flavin adenine dinucleotide disodium salt hydrate, Flavin Adenine Dinucleotide Disodium Salt, 67U7UHJ04C, Riboflavin 5'-adenosine diphosphate disodium salt, FAD-Na2, Flavine adenine dinucleotide, NCGC00167573-01, FAD sodium, EINECS 282-733-8, 146-14-5, Flavin Adenine Dinucelotide, AC1MC06E, FAD (TN), DSSTox_CID_26723, DSSTox_RID_81853, DSSTox_GSID_46723, CHEMBL2356834, DTXSID0046723, C27H31N9Na2O15P2, CTK8B3906, Tox21_112566, ANW-43430, Riboflavin 5'-(trihydrogen diphosphate), 5'.5'-ester with adenosine, disodium salt, O952, SC-86884, Flavin adenine dinucleotide sodium (JP17), CAS-84366-81-4, F0014, D02011, disodium [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] phosphate, FAD disodium salt, Flavin adenine dinucleotide sodium, C27H33N9O15P2.2Na, MFCD00151217, CID2734019, C27-H33-N9-O15-P2.2Na, Flavin adenine dinucleotide disodium salt hydrate, 96% - 1G 1g, Riboflavin 5'-(trihydrogen diphosphate), 5'5'-ester with adenosine, disodium salt, Riboflavin 5'-(trihydrogen diphosphate), P'?5'-ester with adenosine, disodium salt,

Complexity	1550
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	7
Defined Bond Stereocenter Count	0
Exact Mass	829.121g/mol
Formal Charge	0
Heavy Atom Count	55
Hydrogen Bond Acceptor Count	20
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	829.52g/mol
Monoisotopic Mass	829.121g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	362A^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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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