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Isepamicin Impurity 4

CAT: 1299-RM-I010104-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-I010104-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
118953-87-0
Synonyms
(S) -3-amino-N- ((1R,2S,3R,4R,5S) -5-amino-4- (((2R,3R,4S,5S,6R) -6- (aminomethyl) -3,4,5-trihydroxytetrahydro-2H-pyran-2-yl) oxy) -2,3-dihydroxycyclohexyl) -2-hydroxypropanamide
Molecular Formula
C15H30N4O9
Molecular Weight
410.42
Target Alternative Name
Isepamicin
Product Name Synonym
(S) -3-amino-N- ((1R,2S,3R,4R,5S) -5-amino-4- (((2R,3R,4S,5S,6R) -6- (aminomethyl) -3,4,5-trihydroxytetrahydro-2H-pyran-2-yl) oxy) -2,3-dihydroxycyclohexyl) -2-hydroxypropanamide

Chemical Information

Isepamicin Impurity 1
CAS Number118953-87-0
PubChem CID176488529
IUPAC Name(2S)-3-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3-dihydroxycyclohexyl]-2-hydroxypropanamide
Molecular FormulaC15H30N4O9
Molecular Weight410.42
XLogP-5.8
Topological Polar Surface Area247
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity530
SMILES
C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CN)O)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)N
InChI
InChI=1S/C15H30N4O9/c16-2-6(20)14(26)19-5-1-4(18)13(11(24)8(5)21)28-15-12(25)10(23)9(22)7(3-17)27-15/h4-13,15,20-25H,1-3,16-18H2,(H,19,26)/t4-,5+,6-,7+,8-,9+,10-,11+,12+,13+,15+/m0/s1
InChIKey
SBDPJSGCZQVTRM-ZKZGPEAKSA-N
Chemical Structure
2D Structure
2D structure of Isepamicin Impurity 1
CAS: 118953-87-0
CID: 176488529
Formula: C15H30N4O9
MW: 410.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.42
XLogP3-5.8
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass410.20127855
Monoisotopic Mass410.20127855
Topological Polar Surface Area247 Ų
Heavy Atom Count28
Formal Charge0
Complexity530
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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