Molecule ID: 91825685

IUPAC Name: [(2R,3R,4R,5R,6R)-3-acetamido-6-[2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

Description: The molecule is a UDP-amino sugar that is an intermediate in the biosynthesis of the tunicamycins. It has a role as a bacterial metabolite. It is an UDP-amino sugar and a member of uridines. It is a conjugate acid of an UDP-N-acetyltunicamine-uracil(2-).

SMILES: CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CC(O)[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O

SELFIES: [C][C][Branch1][C][O][=N][C@H1][C@@H1][Branch2][Ring2][N][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@@H1][Branch1][=N][N][C][=C][C][Branch1][C][O][=N][C][Ring1][#Branch1][=O][C@H1][Branch1][C][O][C@@H1][Ring1][=C][O][O][C@H1][Branch2][Ring1][#C][C][C][Branch1][C][O][C@H1][O][C@@H1][Branch1][=N][N][C][=C][C][Branch1][C][O][=N][C][Ring1][#Branch1][=O][C@H1][Branch1][C][O][C@@H1][Ring1][=C][O][C@H1][Branch1][C][O][C@@H1][Ring2][Branch1][C][O]

InChI: InChI=1S/C26H37N5O22P2/c1-8(32)27-14-17(38)15(36)10(6-9(33)21-18(39)20(41)23(51-21)31-5-3-13(35)29-26(31)43)50-24(14)52-55(46,47)53-54(44,45)48-7-11-16(37)19(40)22(49-11)30-4-2-12(34)28-25(30)42/h2-5,9-11,14-24,33,36-41H,6-7H2,1H3,(H,27,32)(H,44,45)(H,46,47)(H,28,34,42)(H,29,35,43)/t9?,10-,11-,14-,15+,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1

Molecular Properties:
- Polar Surface Area: 400.0 Ų
- LogP: -8.6