actinium; [2-[6-aminocarbonyl-4-azanyloxycarbonyl-2-[(2-methoxy-3-oxidanyl-3-oxidanylidene-propoxy)-oxidanyl-phosphoryl]oxy-5-methyl-5-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]azanide

Systemtic Name: actinium; [2-[6-aminocarbonyl-4-azanyloxycarbonyl-2-[(2-methoxy-3-oxidanyl-3-oxidanylidene-propoxy)-oxidanyl-phosphoryl]oxy-5-methyl-5-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]azanide Openeye Name: actinium; [2-[4-aminooxycarbonyl-6-carbamoyl-5-hydroxy-2-[hydroxy-(3-hydroxy-2-methoxy-3-oxo-propoxy)phosphoryl]oxy-5-methyl-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]azanide CAS Name: actinium; [2-[[4-[aminooxy(oxo)methyl]-6-carbamoyl-5-hydroxy-2-[hydroxy-(3-hydroxy-2-methoxy-3-oxopropoxy)phosphoryl]oxy-5-methyl-3-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]azanide IUPAC Name: actinium; [2-[4-aminooxycarbonyl-6-carbamoyl-5-hydroxy-2-[hydroxy-(3-hydroxy-2-methoxy-3-oxopropoxy)phosphoryl]oxy-5-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanide Traditional Name: actinium; [2-[4-aminooxycarbonyl-6-carbamoyl-5-hydroxy-2-[hydroxy-(3-hydroxy-3-keto-2-methoxy-propoxy)phosphoryl]oxy-5-methyl-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]azanide Formula: C18H31AcN3O17P- MolecularWeight: 819.450148

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(OC1C(=O)N)OP(=O)(O)OCC(C(=O)O)OC)OC2C(C(C(C(O2)CO)O)O)[NH-])C(=O)ON)O.[Ac]

Isomeric SMILES

CC1(C(C(C(OC1C(=O)N)OP(=O)(O)OCC(C(=O)O)OC)OC2C(C(C(C(O2)CO)O)O)[NH-])C(=O)ON)O.[Ac]

InChI

InChI=1S/C18H31N3O17P.Ac/c1-18(29)7(15(28)37-21)11(35-16-8(19)10(24)9(23)5(3-22)34-16)17(36-12(18)13(20)25)38-39(30,31)33-4-6(32-2)14(26)27;/h5-12,16-17,19,22-24,29H,3-4,21H2,1-2H3,(H2,20,25)(H,26,27)(H,30,31);/q-1;