calcium (2R)-2-azanyl-2-[2,3-bis(oxidanyl)propyl-oxidanylidene-phosphaniumyl]-3-oxidanyl-propanoate

Systemtic Name: calcium (2R)-2-azanyl-2-[2,3-bis(oxidanyl)propyl-oxidanylidene-phosphaniumyl]-3-oxidanyl-propanoate Openeye Name: calcium (2R)-2-amino-2-[2,3-dihydroxypropyl(oxo)phosphaniumyl]-3-hydroxy-propanoate CAS Name: calcium (2R)-2-amino-2-[2,3-dihydroxypropyl(oxo)phosphiniumyl]-3-hydroxypropanoate IUPAC Name: calcium (2R)-2-amino-2-[2,3-dihydroxypropyl(oxo)phosphaniumyl]-3-hydroxypropanoate Traditional Name: calcium (2R)-2-amino-2-[glyceryl(keto)phosphiniumyl]-3-hydroxy-propionate Formula: C12H24CaN2O12P2+2 MolecularWeight: 490.350682

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C[P+](=O)C(CO)(C(=O)[O-])N)O)O.C(C(C[P+](=O)C(CO)(C(=O)[O-])N)O)O.[Ca+2]

Isomeric SMILES

C(C(C[P+](=O)[C@](CO)(C(=O)[O-])N)O)O.C(C(C[P+](=O)[C@](CO)(C(=O)[O-])N)O)O.[Ca+2]

InChI

InChI=1S/2C6H12NO6P.Ca/c2*7-6(3-9,5(11)12)14(13)2-4(10)1-8;/h2*4,8-10H,1-3,7H2;/q;;+2/t2*4?,6-;/m11./s1