Basic information
- CAS
37364-66-2- Standard SMILES
Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)O)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1- InChIKey
MRNLLBXPSWMYCK-UHFFFAOYSA-N- Molecular formula
- C50H72N16O22S2
- Average molar mass
- 1,313.3 g/mol
- Monoisotopic mass
- 1,312.44485034
Overview
structure
Names & identifiers
- Preferred name
- Bleomycinic acid
- IUPAC
- 2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(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-carboxylic acid
- English name
- Bleomycinic acid
- Molecular formula
- C50H72N16O22S2
- Molecular weight
- 1313.34
Names & synonyms
Bleomycinic acid37364-66-2DTXSID901031986RefChem:120646DTXCID001516987Bleomycin acidCCRIS 1269BRN 0605247bleomycin GSCHEMBL29414968MBA36466Q59580275
Show more names
Bleomycin impurityBleomycin Impurity 4Sebacic Acid Impurity 1
Database identifiers
- CAS
37364-66-2- PubChem CID
- 2410
- DTXSID
DTXSID901031986
Properties
Computed structural properties
- XLogP
- -10.5
- Topological polar surface area
- 692 Ų
- Hydrogen bond donors
- 20
- Hydrogen bond acceptors
- 32
- Rotatable bonds
- 32
- Heavy atoms
- 90
- Formal charge
- 0
- Complexity
- 2,450
Physicochemical properties
- Density
- 1.66 · 1.66±0.1 g/cm3(Predicted)
- pka
- 3.19 · 3.19±0.10(Predicted)
Chemistry & industry
Applications
UsesBleomycin Acid is a derivative of Bleomycin (B595805),a glycopeptide antibiotic.
Suppliers4 total
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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