[1-[[4-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]amino]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [1-[[4-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]amino]-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-phosphono-1-[4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyanilino]ethyl]phosphonic acid CAS Name: [1-phosphono-1-[4-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]anilino]ethyl]phosphonic acid IUPAC Name: [1-phosphono-1-[4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]ethyl]phosphonic acid Traditional Name: [1-phosphono-1-[4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyanilino]ethyl]phosphonic acid Formula: C14H23NO12P2 MolecularWeight: 459.279442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(NC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(NC1=CC=C(C=C1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C14H23NO12P2/c1-14(28(20,21)22,29(23,24)25)15-7-2-4-8(5-3-7)26-13-12(19)11(18)10(17)9(6-16)27-13/h2-5,9-13,15-19H,6H2,1H3,(H2,20,21,22)(H2,23,24,25)/t9-,10-,11+,12-,13?/m1/s1