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Lipoxamycin (hemisulfate)

CAT: 0926-LAA07587-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-LAA07587-01Size:5 mg
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CAS Number
11075-87-9
Smiles
C1=CC=C (C=C1) S (=O) (=O) NCC (CN2C3=C (C=C (C=C3) Br) C4=C2C=CC (=C4) Br) O
Molecular Formula
C38H74N4O14S
Molecular Weight
843.1 g/mol
Controlled
No

Chemical Information

Lipoxamycin

Lipoxamycin is an amino acid amide.

CAS Number11075-87-9
PubChem CID165906
IUPAC Name(2S)-2-amino-N,3-dihydroxy-N-(14-methyl-3,10-dioxopentadecyl)propanamide
Molecular FormulaC19H36N2O5
Molecular Weight372.5
XLogP0.9
Topological Polar Surface Area121
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count16
Heavy Atom Count26
Formal Charge0
Complexity426
SMILES
CC(C)CCCC(=O)CCCCCCC(=O)CCN(C(=O)[C@H](CO)N)O
InChI
InChI=1S/C19H36N2O5/c1-15(2)8-7-11-16(23)9-5-3-4-6-10-17(24)12-13-21(26)19(25)18(20)14-22/h15,18,22,26H,3-14,20H2,1-2H3/t18-/m0/s1
InChIKey
ILLOYMPJYAVZKU-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of Lipoxamycin
CAS: 11075-87-9
CID: 165906
Formula: C19H36N2O5
MW: 372.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight372.5
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count16
Exact Mass372.26242225
Monoisotopic Mass372.26242225
Topological Polar Surface Area121 Ų
Heavy Atom Count26
Formal Charge0
Complexity426
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes