InChI: | InChI=1S/C6H18O24P6.Na/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);/q;+1/p-1 |
Specification: |
The?IUPAC name of?Myo-Inositol,1,2,3,4,5,6-hexakis(dihydrogen phosphate), sodium salt (1:?) is?sodium (2,3,4,5,6-pentaphosphonooxycyclohexyl) hydrogen phosphate. With the?CAS registry number 14306-25-3,?it is also named as Inositol hexaphosphate sodium salt.?The product's categorie?is?Dextrins, Sugar & Carbohydrates.?It is white hygroscopic powder which is soluble in water.
The other characteristics of this product can be summarized as:?(1)H-Bond Donor: 11; (2)H-Bond Acceptor: 24; (3)Rotatable Bond Count: 12; (4)Exact Mass: 681.843315; (5)MonoIsotopic Mass: 681.843315; (6)Topological Polar Surface Area: 403; (7)Heavy Atom Count: 37; (8)Formal Charge: 0; (9)Complexity: 1000; (10)Undefined Atom StereoCenter Count: 4; (11)Covalently-Bonded Unit Count: 2.
Uses of Myo-Inositol,1,2,3,4,5,6-hexakis(dihydrogen phosphate), sodium salt (1:?):? It is an additive in the field of foods, feeds, cosmetics and pharmaceuticals. And it is also used as an antioxidant, stabilizer, contrast agent, developing agent,?fermentation promoter, water treatment agent, anti-rust anti-corrosion agent for metals, coating additive and chelating agent for removal of metal ions.
People can use the following data to convert to the molecule structure.
1. Smiles:P(OC1[C@@H]([C@@H](C(OP(O)(=O)[O-])[C@@H]([C@@H]1OP(O)(O)=O)OP(O)(O)=O)OP(O)(O)=O)OP(O)(O)=O)(O)(O)=O.[Na+]
2.?InChI:InChI=1/C6H18O24P6.Na/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);/q;+1/p-1
The following are the toxicity data which has been tested.
Organism |
Test Type |
Route |
Reported Dose (Normalized Dose) |
Effect |
Source |
guinea pig |
LDLo |
intraperitoneal |
400mg/kg (400mg/kg) |
? |
"Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935. |
guinea pig |
LDLo |
subcutaneous |
4gm/kg (4000mg/kg) |
? |
"Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935. |
mouse |
LD50 |
intraperitoneal |
83mg/kg (83mg/kg) |
? |
Pharmaceutical Sciences. Vol. 1, Pg. 311, 1995. |
rabbit |
LDLo |
intravenous |
23mg/kg (23mg/kg) |
? |
"Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935. |
rabbit |
LDLo |
subcutaneous |
1400mg/kg (1400mg/kg) |
? |
"Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935. |
rat |
LD50 |
intraperitoneal |
195mg/kg (195mg/kg) |
? |
French Demande Patent Document. Vol. #2515042, |
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