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Calystegine B2 ,2cbv,Calystegine B(2) ,Calystegine B(3) ,Calystegine B

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摘 要:Calystegine B2 ,2cbv,Calystegine B(2) ,Calystegine B(3) ,Calystegine B(4) ,nchembio.81-comp14,1,2,3,4-Tetrahydroxy-nor-tropane ,DB04658,LS-190985,8-Aza-bicyclo[3.2.1]octane-1,2,3,4-tetraol, (1R,2S,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol,Ca
[Synonyms]
Calystegine B2
2cbv
Calystegine B(2)
Calystegine B(3)
Calystegine B(4)
nchembio.81-comp14
1,2,3,4-Tetrahydroxy-nor-tropane
DB04658
LS-190985
8-Aza-bicyclo[3.2.1]octane-1,2,3,4-tetraol

[Structure]
Calystegine B2 ,2cbv,Calystegine B(2) ,Calystegine B(3) ,Calystegine B

[ Properties Computed from Structure]
Molecular Weight175.18242 [g/mol]
Molecular FormulaC7H13NO4
XLogP-1.5
H-Bond Donor5
H-Bond Acceptor5
Rotatable Bond Count0
Exact Mass175.084458
MonoIsotopic Mass175.084458
Topological Polar Surface Area93
Heavy Atom Count12
Formal Charge0
Complexity200
Isotope Atom Count0
Defined Atom StereoCenter Count5
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (1R,2S,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol
Canonical SMILES: C1CC2(C(C(C(C1N2)O)O)O)O
Isomeric SMILES: C1C[C@]2([C@H]([C@@H]([C@H]([C@@H]1N2)O)O)O)O
InChI: InChI=1/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-/m1/s1

 
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