[(2R,3R,4S,5S)-6-oxidanyl-3,4,5-triphosphonooxy-oxan-2-yl]methyl propanoate

Systemtic Name: [(2R,3R,4S,5S)-6-oxidanyl-3,4,5-triphosphonooxy-oxan-2-yl]methyl propanoate Openeye Name: [(2R,3R,4S,5S)-6-hydroxy-3,4,5-triphosphonooxy-tetrahydropyran-2-yl]methyl propanoate CAS Name: propanoic acid [(2R,3R,4S,5S)-6-hydroxy-3,4,5-triphosphonooxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5S)-6-hydroxy-3,4,5-triphosphonooxyoxan-2-yl]methyl propanoate Traditional Name: propionic acid [(2R,3R,4S,5S)-6-hydroxy-3,4,5-triphosphonooxy-tetrahydropyran-2-yl]methyl ester Formula: C9H19O16P3 MolecularWeight: 476.158843

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC1C(C(C(C(O1)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

CCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C9H19O16P3/c1-2-5(10)21-3-4-6(23-26(12,13)14)7(24-27(15,16)17)8(9(11)22-4)25-28(18,19)20/h4,6-9,11H,2-3H2,1H3,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t4-,6-,7+,8+,9?/m1/s1