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Baumycin B1

CAT: 0931-TN10701-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10701-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
64253-72-1
Target
Antibacterial, Antibiotic
Related Pathways
Microbiology/Virology
Bioactivity
Baumycin B1 is an antitumor antibiotic (antibiotic) .
Smiles
O([C@@H]1C2=C(C(O)=C3C(=C2O)C(=O)C=4C(C3=O)=CC=CC4OC)C[C@](C(C)=O)(O)C1)[C@H]5C[C@H](N)[C@H](OC(OC(C(O)=O)C)CC(C)O)[C@H](C)O5
Molecular Formula
C34H41NO14
Molecular Weight
687.688
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Baumycin B1
CAS Number64253-72-1
PubChem CID163039
IUPAC Name2-[1-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-amino-2-methyloxan-3-yl]oxy-3-hydroxybutoxy]propanoic acid
Molecular FormulaC34H41NO14
Molecular Weight687.7
XLogP0.2
Topological Polar Surface Area242
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Heavy Atom Count49
Formal Charge0
Complexity1250
SMILES
CC1C(C(CC(O1)OC2CC(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)C(=O)O
InChI
InChI=1S/C34H41NO14/c1-13(36)9-22(47-15(3)33(42)43)49-32-14(2)46-23(10-19(32)35)48-21-12-34(44,16(4)37)11-18-25(21)31(41)27-26(29(18)39)28(38)17-7-6-8-20(45-5)24(17)30(27)40/h6-8,13-15,19,21-23,32,36,39,41,44H,9-12,35H2,1-5H3,(H,42,43)
InChIKey
FEMNWPQDEXLDKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Baumycin B1
CAS: 64253-72-1
CID: 163039
Formula: C34H41NO14
MW: 687.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight687.7
XLogP30.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Exact Mass687.25270498
Monoisotopic Mass687.25270498
Topological Polar Surface Area242 Ų
Heavy Atom Count49
Formal Charge0
Complexity1250
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count9
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
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