ethanoic acid; 3-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]-1-methyl-1-nitroso-urea

Systemtic Name: ethanoic acid; 3-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]-1-methyl-1-nitroso-urea Openeye Name: acetic acid; 1-methyl-1-nitroso-3-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]urea CAS Name: acetic acid; 1-methyl-1-nitroso-3-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]urea IUPAC Name: acetic acid; 1-methyl-1-nitroso-3-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea Traditional Name: acetic acid; 1-methyl-1-nitroso-3-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]urea Formula: C16H31N3O15 MolecularWeight: 505.42844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CN(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O

Isomeric SMILES

CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O)N=O

InChI

InChI=1S/C8H15N3O7.4C2H4O2/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15;4*1-2(3)4/h3-7,12-15H,2H2,1H3,(H,9,16);4*1H3,(H,3,4)/t3-,4-,5-,6-,7+;;;;/m1..../s1