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Bleomycin Free Base

CAT: 0931-T71445-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T71445-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
11056-06-7
Target
Antibiotic, Others
Related Pathways
Others, Microbiology/Virology
Bioactivity
Bleomycin Free Base is a complex of related glycopeptide antibiotics from Streptomyces verticillus consisting of bleomycin A2 and B2. It inhibits DNA metabolism and is used as an antineoplastic, especially for solid tumors.
Molecular Formula
C55H84N17O21S3+
Molecular Weight
1415.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bleomycin

Bleomycin appears as colorless or yellowish powder. Possible bluish color depending on copper content. (NTP, 1992)

CAS Number11056-06-7
PubChem CID5360373
IUPAC Name3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium
Molecular FormulaC55H84N17O21S3+
Molecular Weight1415.6
XLogP-7.5
Topological Polar Surface Area685
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count31
Rotatable Bond Count36
Heavy Atom Count96
Formal Charge1
Complexity2580
SMILES
CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O
InChI
InChI=1S/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1/t21-,22+,23+,24-,25-,29?,30?,34-,35-,36-,37?,38?,39?,40?,41-,42?,43?,53?,54?/m0/s1
InChIKey
OYVAGSVQBOHSSS-WXFSZRTFSA-O
Chemical Structure
2D Structure
2D structure of Bleomycin
CAS: 11056-06-7
CID: 5360373
Formula: C55H84N17O21S3+
MW: 1415.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1415.6
XLogP3-7.5
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count31
Rotatable Bond Count36
Exact Mass1414.51898128
Monoisotopic Mass1414.51898128
Topological Polar Surface Area685 Ų
Heavy Atom Count96
Formal Charge1
Complexity2580
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count10
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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