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Baumycin A1

CAT: 0931-TN10691-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10691-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
64314-28-9
Target
Antibacterial, Antibiotic
Related Pathways
Microbiology/Virology
Bioactivity
Baumycin A1 is an antitumor antibiotic (antibiotic) .
Smiles
OC=1C2=C([C@@H](O[C@H]3C[C@H](N)[C@H](OC(OC(CO)C)CC(C)O)[C@H](C)O3)C[C@@](C(C)=O)(O)C2)C(O)=C4C1C(=O)C=5C(C4=O)=C(OC)C=CC5
Molecular Formula
C34H43NO13
Molecular Weight
673.704
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Baumycins

Baumycins has been reported in Streptomyces coeruleorubidus, Streptomyces griseus, and Streptomyces peucetius with data available.

CAS Number64314-28-9
PubChem CID125122
IUPAC Name(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-[3-hydroxy-1-(1-hydroxypropan-2-yloxy)butoxy]-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Molecular FormulaC34H43NO13
Molecular Weight673.7
XLogP2.2
Topological Polar Surface Area225
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Heavy Atom Count48
Formal Charge0
Complexity1170
SMILES
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)OC(CC(C)O)OC(C)CO
InChI
InChI=1S/C34H43NO13/c1-14(37)9-23(45-15(2)13-36)48-33-16(3)46-24(10-20(33)35)47-22-12-34(43,17(4)38)11-19-26(22)32(42)28-27(30(19)40)29(39)18-7-6-8-21(44-5)25(18)31(28)41/h6-8,14-16,20,22-24,33,36-37,40,42-43H,9-13,35H2,1-5H3/t14?,15?,16-,20-,22-,23?,24-,33+,34-/m0/s1
InChIKey
MWURQTZZKGQQIE-GRZLGHIZSA-N
Chemical Structure
2D Structure
2D structure of Baumycins
CAS: 64314-28-9
CID: 125122
Formula: C34H43NO13
MW: 673.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight673.7
XLogP32.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Exact Mass673.27344043
Monoisotopic Mass673.27344043
Topological Polar Surface Area225 Ų
Heavy Atom Count48
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-N13973Baumycin A1
TRC-B118855-25MGBaumycin C1
HY-N13974Baumycin B1
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