AC1MHDAQ
1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[[6-[[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamothioylamino]carbamoyl]pyridine-2-carbonyl]amino]thiourea
Also Known As: CAS# 80666-77-9|2,6-Pyridinedicarboxylic acid, bis(2-((beta-D-glucopyranosylamino)thioxomethyl)hydrazide)|1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[[6-[[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamothioylamino]carbamoyl]pyridine-2-carbonyl]amino]thiourea|1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-3-[[6-[[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]carbamothioylamino]carbamoyl]pyridine-2-carbonyl]amino]thiourea
| Molecular Formula | C21H31N7O12S2 |
|---|---|
| Molecular Weight | 637.1472 g/mol |
| LogP | -7.1008 |
| Topological Polar Surface Area | 299.51 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 637.1472 |
| Monoisotopic Mass | 637.1472 |
| Heavy Atoms | 42 |
| Complexity | 1053.5818 |
Chemical Identifiers
| CAS Number | 80666-79-1 |
|---|---|
| SMILES | C1=CC(=NC(=C1)C(=O)NNC(=S)NC2C(C(C(C(O2)CO)O)O)O)C(=O)NNC(=S)NC3C(C(C(C(O3)CO)O)O)O |
Product Overview
AC1MHDAQ (CAS 80666-79-1), with molecular formula C21H31N7O12S2 and molecular weight 637.1472 g/mol. IUPAC: 1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[[6-[[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamothioylamino]carbamoyl]pyridine-2-carbonyl]amino]thiourea.