Basic information
- CAS
11048-97-8- Standard SMILES
Cc1cc2c(c3oc(C4(C)OC4C4OC4C)cc(=O)c13)C(=O)c1c(O)c(C3CC(C)(N(C)C)C(O)C(C)O3)cc(C3CC(N(C)C)C(O)C(C)O3)c1C2=O- InChIKey
RZOFHOWMWMTHDX-UHFFFAOYSA-N- Molecular formula
- C41H50N2O11
- Average molar mass
- 746.8 g/mol
- Monoisotopic mass
- 746.34146042
Overview
hedamycin has been reported in Streptomyces and Streptomyces griseoruber with data available.
Names & identifiers
- Preferred name
- Hedamycin
- IUPAC
- 10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-2-[2-methyl-3-(3-methyloxiran-2-yl)oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione
- English name
- Hedamycin
- Molecular formula
- C41H50N2O11
- Molecular weight
- 746.84
Names & synonyms
Hedamycin11048-97-8NSC-7092910-[4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-2-[2-methyl-3-(3-methyloxiran-2-yl)oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trioneDTXSID30102821410-(4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl)-8-(4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl)-11-hydroxy-5-methyl-2-(2-methyl-3-(3-methyloxiran-2-yl)oxiran-2-yl)naphtho(2,3-h)chromene-4,7,12-trioneRefChem:145426DTXCID001513795Crystalline antibiotic B 26,158Antibiotic B26,158NSC70929B 26158
Show more names
D-Glucitol, 2,3:4,5-dianhydro-1,6-dideoxy-5-C-[7,12-dihydro-11-hydroxy-5-methyl-4,7,12-trioxo-8-[2,3,6-trideoxy-3-(dimethylamino)-β-D-arabino-hexopyranosyl]-10-[2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-α-L-lyxo-hexopyranosyl]-4H-anthra[1,2-b]pyran-2-yl]-
Antiobiotic B 28158, crystallineAntibiotic B26158NSC-70929DNSC 70929antibiotic B 26,158orb3024714CHEMBL1979887SCHEMBL29885670
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,570
Physicochemical properties
- Melting point
- 243 · 243-245 °C (decomp)
- Boiling point
- 888.6 · 888.6±65.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 5.84 · 5.84±0.40(Predicted)
Chemistry & industry
Applications
DescriptionHedamycin is an antibiotic and DNA alkylator.
Suppliers3 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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