AC1L8QNV
[1-hydroxy-3-(4-phenylbutylamino)-1-phosphonopropyl]phosphonic acid;hydrochloride
Also Known As: ACMC-20b11v|KST-1B0100|{1-hydroxy-3-[(4-phenylbutyl)amino]propane-1,1-diyl}bis(phosphonic acid) hydrochloride|Phosphonic acid,[1-hydroxy-3-[(4-phenylbutyl)amino]propylidene]bis- (9CI)|N-(4-phenylbutyl)-3-aminopropyl-1-hydroxy-1,1-bisphosphonate (hydrate)|[1-hydroxy-3-(4-phenylbutylamino)-1-phosphonopropyl]phosphonic acid hydrochloride|{1-Hydroxy-3-[(4-phenylbutyl)amino]propane-1,1-diyl}bis(phosphonic acid)--hydrogen chloride (1/1)
| Molecular Formula | C13H24ClNO7P2 |
|---|---|
| Molecular Weight | 403.07166 g/mol |
| LogP | 1.4123 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 403.07166 |
| Monoisotopic Mass | 403.07166 |
| Heavy Atoms | 24 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 1247-46-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCCNCCC(O)(P(=O)(O)O)P(=O)(O)O.Cl |
| InChIKey | QUZHOSXHAJUBAH-UHFFFAOYSA-N |
Product Overview
AC1L8QNV (CAS 1247-46-7), with molecular formula C13H24ClNO7P2 and molecular weight 403.07166 g/mol. IUPAC: [1-hydroxy-3-(4-phenylbutylamino)-1-phosphonopropyl]phosphonic acid;hydrochloride.
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