[(E)-1-[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-nonadec-10-enyl] phosphono hydrogen phosphate

Systemtic Name: [(E)-1-[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-nonadec-10-enyl] phosphono hydrogen phosphate Openeye Name: [(E)-1-[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-oxo-nonadec-10-enyl] phosphono hydrogen phosphate CAS Name: [(E)-1-[5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]-2-oxononadec-10-enyl] phosphono hydrogen phosphate IUPAC Name: [(E)-1-[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxononadec-10-enyl] phosphono hydrogen phosphate Traditional Name: [(E)-1-[5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-keto-nonadec-10-enyl] phosphono hydrogen phosphate Formula: C27H47N3O12P2 MolecularWeight: 667.622502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(C1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C(C1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C27H47N3O12P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(31)24(41-44(38,39)42-43(35,36)37)25-22(32)23(33)26(40-25)30-19-18-21(28)29-27(30)34/h9-10,18-19,22-26,32-33H,2-8,11-17H2,1H3,(H,38,39)(H2,28,29,34)(H2,35,36,37)/b10-9+