azane; [5-[[(4-nitrophenoxy)-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]methylphosphonic acid

Systemtic Name: azane; [5-[[(4-nitrophenoxy)-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]methylphosphonic acid Openeye Name: ammonia; [3,4-dihydroxy-5-[[hydroxy-(4-nitrophenoxy)phosphoryl]oxymethyl]tetrahydrofuran-2-yl]methylphosphonic acid CAS Name: ammonia; [3,4-dihydroxy-5-[[hydroxy-(4-nitrophenoxy)phosphoryl]oxymethyl]-2-oxolanyl]methylphosphonic acid IUPAC Name: azane; [3,4-dihydroxy-5-[[hydroxy-(4-nitrophenoxy)phosphoryl]oxymethyl]oxolan-2-yl]methylphosphonic acid Traditional Name: ammonia; [3,4-dihydroxy-5-[[hydroxy-(4-nitrophenoxy)phosphoryl]oxymethyl]tetrahydrofuran-2-yl]methylphosphonic acid Formula: C12H20N2O12P2 MolecularWeight: 446.240922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)OCC2C(C(C(O2)CP(=O)(O)O)O)O.N

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)OCC2C(C(C(O2)CP(=O)(O)O)O)O.N

InChI

InChI=1S/C12H17NO12P2.H3N/c14-11-9(24-10(12(11)15)6-26(18,19)20)5-23-27(21,22)25-8-3-1-7(2-4-8)13(16)17;/h1-4,9-12,14-15H,5-6H2,(H,21,22)(H2,18,19,20);1H3