[(1S,5R,6S)-6-acetamido-3-diethoxyphosphoryl-5-oxidanyl-cyclohex-3-en-1-yl] ethyl hydrogen phosphate

Systemtic Name: [(1S,5R,6S)-6-acetamido-3-diethoxyphosphoryl-5-oxidanyl-cyclohex-3-en-1-yl] ethyl hydrogen phosphate Openeye Name: [(1S,5R,6S)-6-acetamido-3-diethoxyphosphoryl-5-hydroxy-cyclohex-3-en-1-yl] ethyl hydrogen phosphate CAS Name: [(1S,5R,6S)-6-acetamido-3-diethoxyphosphoryl-5-hydroxy-1-cyclohex-3-enyl] ethyl hydrogen phosphate IUPAC Name: [(1S,5R,6S)-6-acetamido-3-diethoxyphosphoryl-5-hydroxycyclohex-3-en-1-yl] ethyl hydrogen phosphate Traditional Name: [(1S,5R,6S)-6-acetamido-3-diethoxyphosphoryl-5-hydroxy-cyclohex-3-en-1-yl] ethyl hydrogen phosphate Formula: C14H27NO9P2 MolecularWeight: 415.313002

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=CC(C(C(C1)OP(=O)(O)OCC)NC(=O)C)O)OCC

Isomeric SMILES

CCOP(=O)(C1=C[C@H]([C@@H]([C@H](C1)OP(=O)(O)OCC)NC(=O)C)O)OCC

InChI

InChI=1S/C14H27NO9P2/c1-5-21-25(18,22-6-2)11-8-12(17)14(15-10(4)16)13(9-11)24-26(19,20)23-7-3/h8,12-14,17H,5-7,9H2,1-4H3,(H,15,16)(H,19,20)/t12-,13+,14+/m1/s1