# Bleomycin A2 sulfate

CAS: 41432-97-7
PubChem CID: 9812642
InChIKey: WUIABRMSWOKTOF-OYALTWQYSA-N
Wikidata: Q27290685
Molecular formula: C₅₅H₈₅N₁₇O₂₅S₄
Molar mass: 1512.6 g/mol
IUPAC: 3-[[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-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-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;hydrogen sulfate
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)NCCC[S+](C)C)O.OS(=O)(=O)[O-]
InChI: InChI=1S/C55H83N17O21S3.H2O4S/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;1-5(2,3)4/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);(H2,1,2,3,4)/t21-,22+,23+,24-,25-,29-,30+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43-,53+,54-;/m0./s1
PSA: 770 A^2
Hydrogen bond donors: 21
Hydrogen bond acceptors: 35
Rotatable bonds: 36
Heavy atoms: 101
3D structure: 186 atoms, 190 bonds

## About the compound

Bleomycin A2 sulfate is a chemical compound registered under CAS number 41432-97-7. Molecular formula: C₅₅H₈₅N₁₇O₂₅S₄. Molar mass: 1512.6 g/mol. The full systematic IUPAC name is: 3-[[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-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-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;hydrogen sulfate. The molecule contains 186 atoms connected by 190 chemical bonds. 
Chemical data comes from the PubChem (NIH), ChEMBL (EBI) and NIST WebBook databases. GHS statement translations comply with the CLP Regulation (EC 1272/2008). Interactive 3D model and 2D skeleton available at: https://molgod.org/molecule/41432-97-7/


## Synonyms

  - Bleomycin A2 sulfate
  - 41432-97-7
  - UNII-U4S5LQV9S2
  - U4S5LQV9S2
  - Bleomycinamide, n1-(3-(dimethylsulfonio)propyl)-, sulfate (1:1) (Salt)
  - RefChem:120638
  - DTXCID70116844
  - orb1907324
  - SCHEMBL31497404
  - AKOS040758960
  - T65016
  - Q27290685

## Data sources

  - PubChem CID 9812642: https://pubchem.ncbi.nlm.nih.gov/compound/9812642
  - Wikidata: https://www.wikidata.org/wiki/Q27290685
  - NIST WebBook: https://webbook.nist.gov/cgi/cbook.cgi?ID=41432-97-7
  - ChEMBL: https://www.ebi.ac.uk/chembl/g/#search_results/all/query=41432-97-7

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Last updated: 2026-10-17
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