[1-[6-[[5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-phosphonooxy-propan-2-yl] dihydrogen phosphate

Systemtic Name: [1-[6-[[5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-phosphonooxy-propan-2-yl] dihydrogen phosphate Openeye Name: [1-[[6-[[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxymethyl]-2-phosphonooxy-ethyl] dihydrogen phosphate CAS Name: [1-[[6-[[3,4-dihydroxy-6-methyl-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxymethyl]-3,4,5-trihydroxy-2-oxanyl]oxy]-3-phosphonooxypropan-2-yl] dihydrogen phosphate IUPAC Name: [1-[6-[[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-phosphonooxypropan-2-yl] dihydrogen phosphate Traditional Name: [1-[[6-[[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxymethyl]-2-phosphonooxy-ethyl] dihydrogen phosphate Formula: C21H40O23P2 MolecularWeight: 722.476022

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(COP(=O)(O)O)OP(=O)(O)O)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O

Isomeric SMILES

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(COP(=O)(O)O)OP(=O)(O)O)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O

InChI

InChI=1S/C21H40O23P2/c1-6-18(43-21-16(29)12(25)10(23)8(2-22)41-21)14(27)17(30)19(40-6)38-5-9-11(24)13(26)15(28)20(42-9)37-3-7(44-46(34,35)36)4-39-45(31,32)33/h6-30H,2-5H2,1H3,(H2,31,32,33)(H2,34,35,36)