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Angolamycin

CAT: 0013-GTR19249641-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249641-02Size:10 mg
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Description
Angolamycin is a macrolide antibiotic with activity against Gram-positive bacteria. It is used in research to study antibiotic mechanisms and bacterial resistance, with applications in both in vitro microbiological assays and in vivo model studies.
CAS Number
1402-83-1
Field of Research
Infectious Disease & Virology
Smiles
O=CCC1CC (C (=O) C=CC2 (OC2C (COC3OC (C) C (O) C (OC) C3OC) C (OC (=O) CC (O) C (C) C1OC4OC (C) C (OC5OC (C) C (O) C (O) (C) C5) C (N (C) C) C4) CC) C) C
Molecular Formula
C46H77NO17
Molecular Weight
916.1
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Angolamycin

structure

CAS Number1402-83-1
PubChem CID6438267
IUPAC Name2-[(14E)-9-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-8,12,16-trimethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde
Molecular FormulaC46H77NO17
Molecular Weight916.1
XLogP1.2
Topological Polar Surface Area231
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count18
Rotatable Bond Count13
Heavy Atom Count64
Formal Charge0
Complexity1570
SMILES
CCC1C(C2C(O2)(/C=C/C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3CC(C(C(O3)C)OC4CC(C(C(O4)C)O)(C)O)N(C)C)CC=O)C)C)COC5C(C(C(C(O5)C)O)OC)OC
InChI
InChI=1S/C46H77NO17/c1-13-33-29(22-57-44-41(56-12)40(55-11)37(52)25(4)60-44)43-46(8,64-43)16-14-31(49)23(2)18-28(15-17-48)38(24(3)32(50)20-34(51)61-33)62-35-19-30(47(9)10)39(26(5)58-35)63-36-21-45(7,54)42(53)27(6)59-36/h14,16-17,23-30,32-33,35-44,50,52-54H,13,15,18-22H2,1-12H3/b16-14+
InChIKey
KZXDKUWSAVUSKI-JQIJEIRASA-N
Chemical Structure
2D Structure
2D structure of Angolamycin
CAS: 1402-83-1
CID: 6438267
Formula: C46H77NO17
MW: 916.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight916.1
XLogP31.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count18
Rotatable Bond Count13
Exact Mass915.51914999
Monoisotopic Mass915.51914999
Topological Polar Surface Area231 Ų
Heavy Atom Count64
Formal Charge0
Complexity1570
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count22
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T205018-01Angolamycin

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