[2-methoxy-5-(5-methoxy-6-methoxycarbonyl-4-oxidanyl-3-sulfooxy-oxan-2-yl)oxy-4-oxidanyl-6-(sulfinoperoxymethyl)oxan-3-yl]sulfamic acid

Systemtic Name: [2-methoxy-5-(5-methoxy-6-methoxycarbonyl-4-oxidanyl-3-sulfooxy-oxan-2-yl)oxy-4-oxidanyl-6-(sulfinoperoxymethyl)oxan-3-yl]sulfamic acid Openeye Name: [4-hydroxy-5-(4-hydroxy-5-methoxy-6-methoxycarbonyl-3-sulfooxy-tetrahydropyran-2-yl)oxy-2-methoxy-6-(sulfinoperoxymethyl)tetrahydropyran-3-yl]sulfamic acid CAS Name: [4-hydroxy-5-[(4-hydroxy-5-methoxy-6-methoxycarbonyl-3-sulfooxy-2-oxanyl)oxy]-2-methoxy-6-(sulfinodioxymethyl)-3-oxanyl]sulfamic acid IUPAC Name: [4-hydroxy-5-(4-hydroxy-5-methoxy-6-methoxycarbonyl-3-sulfooxyoxan-2-yl)oxy-2-methoxy-6-(sulfinoperoxymethyl)oxan-3-yl]sulfamic acid Traditional Name: [5-(6-carbomethoxy-4-hydroxy-5-methoxy-3-sulfoxy-tetrahydropyran-2-yl)oxy-4-hydroxy-2-methoxy-6-(sulfinoperoxymethyl)tetrahydropyran-3-yl]sulfamic acid Formula: C15H27NO20S3 MolecularWeight: 637.56458

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(OC1C(=O)OC)OC2C(OC(C(C2O)NS(=O)(=O)O)OC)COOS(=O)O)OS(=O)(=O)O)O

Isomeric SMILES

COC1C(C(C(OC1C(=O)OC)OC2C(OC(C(C2O)NS(=O)(=O)O)OC)COOS(=O)O)OS(=O)(=O)O)O

InChI

InChI=1S/C15H27NO20S3/c1-28-10-8(18)11(35-39(25,26)27)15(34-12(10)13(19)29-2)33-9-5(4-31-36-37(20)21)32-14(30-3)6(7(9)17)16-38(22,23)24/h5-12,14-18H,4H2,1-3H3,(H,20,21)(H,22,23,24)(H,25,26,27)