948294-50-6 Purity
95%
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The molecular formula of Calystegine B3 is C7H13NO4.
The synonyms for Calystegine B3 are 178231-95-3 and (+)-Calystegine B3.
The molecular weight of Calystegine B3 is 175.18 g/mol.
Calystegine B3 was created on December 10, 2015.
The IUPAC name of Calystegine B3 is (1S,2R,3R,4S,5S)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol.
The InChI of Calystegine B3 is InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4-,5+,6+,7-/m0/s1.
The InChIKey of Calystegine B3 is FXFBVZOJVHCEDO-TYDWOXHJSA-N.
The Canonical SMILES of Calystegine B3 is C1CC2(C(C(C(C1N2)O)O)O)O.
The CAS number of Calystegine B3 is 178231-95-3.
The hydrogen bond donor count of Calystegine B3 is 5.