AG003TRV

83-86-3 | myo-Inositol, 1,2,3,4,5,6-hexakis(dihydrogen phosphate)

AG003TRV

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CAS Number	83-86-3
Catalog Number	AG003TRV(AGN-PC-0UPNSC)
Chemical Name	myo-Inositol, 1,2,3,4,5,6-hexakis(dihydrogen phosphate)
EC Number	201-506-6
IUPAC Name	(2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate
InChI	InChI=1S/C6H18O24P6/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)
InChI Key	IMQLKJBTEOYOSI-UHFFFAOYSA-N
MDL Number	MFCD00082309
Molecular Formula	C6H18O24P6
Molecular Weight	660.0353
NSC Number	269896
SMILES	O=P(O)(O[C@H]1[C@@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O)O
UNII	7IGF0S7R8I
Synonyms	Acid, Phytic, Calcium Phytate, Hexakisphosphate, Inositol, Hexaphosphate, Inositol, Inositol Hexakisphosphate, Inositol Hexaphosphate, Phytate, Phytate, Calcium, Phytate, Sodium, Phytic Acid, Phytin, Sodium Phytate, Phytic acid, 83-86-3, Phytate, Fytic acid, Inositol hexaphosphate, Alkalovert, myo-Inositol hexaphosphate, myo-inositol hexakisphosphate, Alkovert, Phytine, Acide fytique, Acidum fyticum, Acido fitico, inositol hexakisphosphate, myo-Inositol, hexakis(dihydrogen phosphate), myo-Inosistol hexakisphosphate, Inositol 1,2,3,4,5,6-hexakisphosphate, CCRIS 4513, UNII-7IGF0S7R8I, Saure des phytins [German], Saeure des phytins, Acide fytique [INN-French], Acido fitico [INN-Spanish], Acidum fyticum [INN-Latin], Inosithexaphosphorsaure [German], 1D-myo-inositol hexakisphosphate, CHEBI:17401, Inosithexaphosphorsaeure, myo-Inositol 1,2,3,4,5,6-hexakisphosphate, EINECS 201-506-6, D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate, meso-Inositol hexaphosphate, 1D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate, Inositol hexakis(phosphate), inositol-hexaphosphoric acid, NSC 269896, 7IGF0S7R8I, INOSITOL, HEXAKIS(DIHYDROGEN PHOSPHATE), myo-, myo-Inositol hexakis(phosphate), D-chiro inositol hexakisphosphate, NSC269896, IP6, myo-Inositol, 1,2,3,4,5,6-hexakis(dihydrogen phosphate), (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate, Inositol hexaphosphoric acid, myo-inositol hexakis(dihydrogen phosphate), Phyliance, Saure des phytins, IHP, Inosithexaphosphorsaure, Inositol hexaphosphoric acid, 50 wt% aqueous solution, Exfoderm, Exfoderm Forte, 1zsh, (1R,2r,3S,4R,5s,6S)-cyclohexane-1,2,3,4,5,6-hexayl hexakis(dihydrogen phosphate), (1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexayl hexakis[dihydrogen (phosphate)], C6H18O24P6, Dermofeel PA 3, Phytic Acid Powder, Fytic acid [INN], Inositol polyphosphate, 1bq3, 1,2,3,4,5,6-cyclohexanehexol, hexakis(dihydrogen phosphate), AC1Q6SHB, neo-Inositol hexaphosphate, Epitope ID:144992, scyllo-Inositol hexaphosphate, PHYTIC ACID, 40%, SCHEMBL19249, D-chiro-Inositol hexaphosphate, SCHEMBL136587, AC1L1A98, myo-inositol hexaphosphoric acid, SCHEMBL1681470, SCHEMBL1681701, SCHEMBL1682030, SCHEMBL9164308, SCHEMBL9741350, CHEMBL1233511, CHEMBL2005481, SCHEMBL12137150, SCHEMBL12138455, SCHEMBL12549553, SCHEMBL15374707, SCHEMBL17006482, Phytic Acid (~50% in water), diphosphoinositol tetrakisphosphate, IMQLKJBTEOYOSI-GPIVLXJGSA-N, IMQLKJBTEOYOSI-OBXALCGXSA-N, IMQLKJBTEOYOSI-UHFFFAOYSA-N, MYO-INOSITOL HEXAKISPHOSPHAT, HY-N0814, ZINC8214655, MFCD00082309, AKOS015856604, AKOS015901448, ZINC169289809, ZINC169715578, ZINC169724120, ZINC195811080, ZINC216094130, AC-8037, AN-8391, CS-6330, NSC-269896, RL05170, RP 3000, 10083-08-6, CC-33777, E391, Hexakis(dihydrogen phosphate) myo-inositol, LS-84062, NCI60_002200, NCI60_038627, R238, SC-11360, Inositol Hexaphosporic Acid, Hexaphosphate, FT-0082740, FT-0600486, FT-0689105, N1645, P0409, Phytic acid solution, 50 % (w/w) in H2O, ST24031538, D-myo-Inositol-1,2,3,4,5,6-hexaphosphate, A14529, C01204, Phytic acid solution, technical, ~40% in H2O, Hexakis(dihydrogen phosphate) myo-inositol (9CI), SR-01000944523, SR-01000944523-1, I14-15308, myo-Inositol 1,2,3,4,5,6-Hexakis(dihydrogen phosphate), {[2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid, Phytic acid solution, United States Pharmacopeia (USP) Reference Standard, [(1S,2R,3r,4S,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxyphosphonic acid, 1,2,3,4,5,6-cyclohexanehexol, hexakis(dihydrogen phosphate), (1alpha,2alpha,3alpha,4beta,5alpha,6beta)-, WHL, Phyticacid, Sodium phytate, phytomonicacid, Phytin, fytinsyre-, Phytate, Sodium, Acid, Phytic, Phytate, Calcium, Inositol, myo-, InsP6, CALCIUM PHYTATE, Hexaphosphate, Inositol, inositolhexaphosphoric acid, Hexakisphosphate, Inositol, D0F3GG, D0KN1U, D-Glucopyranose, pentaacetate, GERD therapy (oral), Reviva, CID890, SNF-03, SNF-04, SNF-471, SNF-472, SNF-571, SNF-671, KST-1B9075, AR-1B5039, Inositol hexakis(dihydrogen phosphate), C6-H18-O24-P6, ACN-047014, RP-3000, D010833, Q-201578, Gastroesophageal reflux disease therapy (oral), Reviva, Phytic acid, 45 wt.% solution in H2O - 100G 100g, SNF-571 (transdermal patch, renal calcium lithiasis), Sanifit, Phytate (tablet formulation, osteoporosis), Sanifit Laboratoris SL, SNF-471 (transdermal patch, cardiovascular calcification), Sanifit, 89602-25-5, Phosphoric acid mono-(2,3,4,5,6-pentakis-phosphonooxy-cyclohexyl) este, InsP6 (transdermal patch formulation, cardiovascular calcifications), Sanifit Laboratoris SL, InsP6, (transdermal/patch formulation, renal calcium lithiasis), Sanifit Laboratoris SL, Myo-inositol hexaphosphate (tablet formulation, osteoporosis), Sanifit Laboratoris SL, Phytate (intravenous formulation, cardiovascular calcifications), Sanifit Laboratoris SL, Phytate (transdermal/patch formulation, renal calcium lithiasis), Sanifit Laboratoris SL, 503-06-0, Calcium metabolism modulator (subcutaneous/injectable formulation, cardiovascular calcifications), Sanifit Laboratoris SL, Calcium metabolism modulator (transdermal patch formulation, cardiovascular calcifications), Sanifit Laboratoris SL, I6P, KGN, Myo-inositol hexakisphosphate (transdermal patchformulation, cardiovascular calcifications), Sanifit Laboratoris SL, Myo-inositol hexaphosphate (intravenous formulation, cardiovascular calcifications), Sanifit Laboratoris SL, Myo-inositol hexaphosphate (transdermal patch formulation, cardiovascular calcifications), Sanifit Laboratoris SL, Myo-inositol hexaphosphate (transdermal/patch formulation, renal calcium lithiasis), Sanfit Laboratoris SL, Phytate (transdermal patch formulation, cardiovascular calcifications), Sanifit Laboratoris SL,

Complexity	818
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	659.861g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	24
Hydrogen Bond Donor Count	12
Isotope Atom Count	0
Molecular Weight	660.029g/mol
Monoisotopic Mass	659.861g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	401A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-10.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H290-H314-H335
Packing Group	Ⅱ
Precautionary statements	P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P261-P310
UN Code	UN 3265

Certificate of Analysis

Lot Number