[(2R,3S,4R,5R,6S)-5-acetamido-6-methoxy-3,4-bis(oxidanyl)oxan-2-yl]methyl [(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate

Systemtic Name: [(2R,3S,4R,5R,6S)-5-acetamido-6-methoxy-3,4-bis(oxidanyl)oxan-2-yl]methyl [(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate Openeye Name: [(2R,3S,4R,5R,6S)-5-acetamido-3,4-dihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl [(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate CAS Name: [(2R,3S,4R,5R,6S)-5-acetamido-3,4-dihydroxy-6-methoxy-2-oxanyl]methyl [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-oxolanyl] hydrogen phosphate IUPAC Name: [(2R,3S,4R,5R,6S)-5-acetamido-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate Traditional Name: [(2R,3S,4R,5R,6S)-5-acetamido-3,4-dihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl [(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl] hydrogen phosphate Formula: C18H29N4O12P MolecularWeight: 524.416221

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OC)COP(=O)(O)OC2CC(OC2CO)N3C=CC(=NC3=O)N)O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)COP(=O)(O)O[C@H]2C[C@@H](O[C@@H]2CO)N3C=CC(=NC3=O)N)O)O

InChI

InChI=1S/C18H29N4O12P/c1-8(24)20-14-16(26)15(25)11(33-17(14)30-2)7-31-35(28,29)34-9-5-13(32-10(9)6-23)22-4-3-12(19)21-18(22)27/h3-4,9-11,13-17,23,25-26H,5-7H2,1-2H3,(H,20,24)(H,28,29)(H2,19,21,27)/t9-,10+,11+,13+,14+,15+,16+,17-/m0/s1