AC1L6JWZ
2-amino-1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol;4-methylbenzenesulfonic acid
Also Known As: 6-amino-3-o-benzyl-6-deoxy-1,2-o-(1-methylethylidene)hexofuranose 4-methylbenzenesulfonate(1:1)|2-amino-1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol; 4-methylbenzenesulfonic acid|2-Amino-1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol;4-methylbenzenesulfonic acid|4-Methylbenzene-1-sulfonic acid--6-amino-3-O-benzyl-6-deoxy-1,2-O-(1-methylethylidene)hexofuranose (1/1)
| Molecular Formula | C23H31NO8S |
|---|---|
| Molecular Weight | 481.17703 g/mol |
| LogP | 2.00952 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.17703 |
| Monoisotopic Mass | 481.17703 |
| Heavy Atoms | 33 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 893-91-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC1(OC2C(C(OC2O1)C(CN)O)OCC3=CC=CC=C3)C |
| InChIKey | MJRFYLYQTRPVJR-UHFFFAOYSA-N |
Product Overview
AC1L6JWZ (CAS 893-91-4), with molecular formula C23H31NO8S and molecular weight 481.17703 g/mol. IUPAC: 2-amino-1-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol;4-methylbenzenesulfonic acid.
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