Basic information
- CAS
24916-50-5- Standard SMILES
CO[C@@H]1[C@@H](OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(N(C)C)C2O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC2CCC(N(C)C)C(C)O2)/C=C\C=C/C[C@@H](C)OC(=O)C[C@H]1O- InChIKey
ACTOXUHEUCPTEW-DWDMVGJGSA-N- Molecular formula
- C43H74N2O14
- Average molar mass
- 843.1 g/mol
- Monoisotopic mass
- 842.51400504
Names & identifiers
- Preferred name
- 2-[(4R,5S,6S,7R,9R,10R,11Z,13Z,16R)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
- IUPAC
- 2-[(4R,5S,6S,7R,9R,10R,11Z,13Z,16R)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
- English name
- SPIRAMYCIN I
- Molecular formula
- C43H74N2O14
- Molecular weight
- 843.05
Names & synonyms
CHEMBL5491607SPIRAMYCIN ISpiramycin AForomacidin AForomacidine ASpiramycin I (>90%)SPIRAMYCIN I STANDARDdemycarosylturimycin HSpiramycin Impurity 9(Spiramycin I)Spiramycin I (contains 6% Spiramycin III)Spiramycin I (Contains up to 6% Spiramycin III)
Database identifiers
- CAS
24916-50-5、8025-81-8- PubChem CID
- 71308751
- ChEMBL
CHEMBL5491607- EC Number
- 232-429-6
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 11
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,370
Physicochemical properties
- Melting point
- 134 · 134-1370C
- alpha
- 20 · D20 -96°
- Boiling point
- 913.7 · 913.7±65.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.06 · 13.06±0.70(Predicted)
- color
- White to Off-White
- Stability
- Moisture Sensitive, Temperature Sensitive
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 33 ECH6IFG · 033ECH6IFG
Chemistry & industry
Applications
UsesAntibiotic substance classified in the erythromycin-carbomycin group.
Suppliers41 total
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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