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Bleomycin A5

CAT: 1459-CS-O-52637Size: 1 EachDry Ice: NoHazardous: No
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Description
Bleomycin A5 is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Bleomycin. The product is supplied by Clearsynth under CAT No. CS-O-52637. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
11116-32-8
Synonyms
Bleomycin A5
Molecular Formula
C 57 H 89 N 19 O 21 S 2
Molecular Weight
1440.56
Additionnal Information
Bleomycin A5 is supplied with detailed characterization data compliant with regulatory guideline. Bleomycin A5 can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Bleomycin.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Bleomycin A5

pingyangmycin has been reported in Streptomyces verticillus with data available.

CAS Number11116-32-8
PubChem CID92135919
IUPAC Name[(2S,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2R,3S,4S)-5-[[(2S,3R)-1-[2-[4-[4-[3-(4-aminobutylamino)propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
Molecular FormulaC57H89N19O21S2
Molecular Weight1440.6
XLogP-8.8
Topological Polar Surface Area722
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count33
Rotatable Bond Count40
Heavy Atom Count99
Formal Charge0
Complexity2620
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)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@H]4[C@H]([C@H]([C@@H]([C@H](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)NCCCNCCCCN)O
InChI
InChI=1S/C57H89N19O21S2/c1-22-35(73-48(76-46(22)61)27(14-33(60)80)68-15-26(59)47(62)86)52(90)75-37(43(28-16-65-21-69-28)95-56-45(41(84)39(82)31(17-77)94-56)96-55-42(85)44(97-57(63)92)40(83)32(18-78)93-55)53(91)70-24(3)38(81)23(2)49(87)74-36(25(4)79)51(89)67-13-8-34-71-30(20-98-34)54-72-29(19-99-54)50(88)66-12-7-11-64-10-6-5-9-58/h16,19-21,23-27,31-32,36-45,55-56,64,68,77-79,81-85H,5-15,17-18,58-59H2,1-4H3,(H2,60,80)(H2,62,86)(H2,63,92)(H,65,69)(H,66,88)(H,67,89)(H,70,91)(H,74,87)(H,75,90)(H2,61,73,76)/t23-,24+,25+,26-,27-,31-,32+,36-,37-,38-,39+,40+,41-,42-,43-,44-,45-,55-,56-/m0/s1
InChIKey
QYOAUOAXCQAEMW-DDZPZTJXSA-N
Chemical Structure
2D Structure
2D structure of Bleomycin A5
CAS: 11116-32-8
CID: 92135919
Formula: C57H89N19O21S2
MW: 1440.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1440.6
XLogP3-8.8
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count33
Rotatable Bond Count40
Exact Mass1439.59218327
Monoisotopic Mass1439.59218327
Topological Polar Surface Area722 Ų
Heavy Atom Count99
Formal Charge0
Complexity2620
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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