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Angolamycin

CAT: 0931-T205018-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T205018-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1402-83-1
Target
Antibacterial, Antibiotic
Related Pathways
Microbiology/Virology
Bioactivity
Angolamycin is a macrolide antibiotic (antibiotic) effective against Gram-positive bacteria.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
GTR19249641-01Angolamycin

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