# Bleomycin A2 sulfate

**CAS:** 41432-97-7  
**PubChem CID:** [9812642](https://pubchem.ncbi.nlm.nih.gov/compound/9812642)  
**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-]`  
**InChIKey:** `WUIABRMSWOKTOF-OYALTWQYSA-N`  
**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`  

## Physicochemical properties

| Parameter | Value |
|---|---|
| PSA | 770 Ų |
| Hydrogen bond donors | 21 |
| Hydrogen bond acceptors | 35 |
| Rotatable bonds | 36 |
| Heavy atoms | 101 |

## 3D structure

The molecule contains 186 atoms connected by 190 chemical bonds. Interactive 3D model 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

## 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 · Generator: MOL-GOD v3.12.33*