2-amino-5-(2,2-dime...

2-amino-5-(2,2-dimethyl-1,3-dioxolan-4-yl)oxolane-3,4-diol,4-methylbenzenesulfonic acid 52485-59-3

2-amino-5-(2,2-dimethyl-1,3-dioxolan-4-yl)oxolane-3,4-diol,4-methylbenzenesulfonic acid 52485-59-3

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

2-amino-5-(2,2-dimethyl-1,3-dioxolan-4-yl)oxolane-3,4-diol; 4-methylbenzenesulfonic acid 52485-59-3 98%

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  • Appearance:Liquid
  • Application:Organic Chemicals
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  • ProductionCapacity:10|Kilogram|Month
  • Storage:Room Temperature
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Details:

Identification and Related Records
【Name】
5,6-O-(1-methylethylidene)hexofuranosylamine 4-methylbenzenesulfonate (1:1)
【Iupac name】
2-amino-5-(2,2-dimethyl-1,3-dioxolan-4-yl)oxolane-3,4-diol;
4-methylbenzenesulfonic acid
【CAS Registry number】
52485-59-3
【Synonyms】
NSC184854
AC1L7014
NSC-184854
2-amino-5-(2,2-dimethyl-1,3-dioxolan-4-yl)oxolane-3,4-diol
4-methylbenzenesulfonic acid
52485-59-3
【Molecular Formula】
C16H25NO8S (Products with the same molecular formula)
【Molecular Weight】
391.4366
【Inchi】
InChI=1/C9H17NO5.C7H8O3S/c1-9(2)13-3-4(15-9)7-5(11)6(12)8(10)14-7;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,11-12H,3,10H2,1-2H3;2-5H,1H3,(H,8,9,10)
【Canonical SMILES】
CC1=CC=C(C=C1)S(=O)(=O)O.CC1(OCC(O1)C2C(C(C(O2)N)O)O)C
【MOL File】
52485-59-3.mol
Chemical and Physical Properties
【Density】
g/cm3
【Boiling Point】
378°C at 760 mmHg
【Flash Point】
182.4°C
【Computed Properties】
Molecular Weight:391.4366 [g/mol]
Molecular Formula:C16H25NO8S
H-Bond Donor:4
H-Bond Acceptor:9
Rotatable Bond Count:2
Exact Mass:391.130087
MonoIsotopic Mass:391.130087
Topological Polar Surface Area:157
Heavy Atom Count:26
Formal Charge:0
Complexity:453
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

 

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