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85951-37-7 | Trospectomycin Dihydrochloride
CAS No: 85951-37-7 Catalog No: AG004W35 MDL No:
Product Description
Catalog Number:
AG004W35
Chemical Name:
Trospectomycin Dihydrochloride
CAS Number:
85951-37-7
Molecular Formula:
C17H30N2O7
Molecular Weight:
374.4293
IUPAC Name:
5-butyl-8,12,14-trihydroxy-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one
InChI:
InChI=1S/C17H30N2O7/c1-4-5-6-8-7-9(20)17(23)16(24-8)25-15-13(22)10(18-2)12(21)11(19-3)14(15)26-17/h8,10-16,18-19,21-23H,4-7H2,1-3H3
InChI Key:
KHAUBYTYGDOYRU-UHFFFAOYSA-N
SMILES:
CCCCC1O[C@@H]2O[C@H]3[C@@H](O)[C@@H](NC)[C@@H]([C@H]([C@@H]3O[C@@]2(C(=O)C1)O)NC)O
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.205g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
374.434g/mol
Monoisotopic Mass:
374.205g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
9
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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