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| CAS No.: | 54927-63-8 |
|---|---|
| Name: | septamycin |
| Molecular Structure: | |
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| Formula: | C48H82 O16 |
| Molecular Weight: | 916.31 |
| Synonyms: | Septamycin;2H-Pyran-2-acetic acid,6-[[3,9-dimethoxy-2,4,10-trimethyl-2-[octahydro-5'-(tetrahydro-6-hydroxy-3,5,6-trimethyl-2H-pyran-2-yl)[2,2'-bifuran]-5-yl]-1,6-dioxaspiro[4.5]dec-7-yl]methyl]tetrahydro-2-hydroxy-4-methoxy-a,3,5-trimethyl-5-[(tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy]-,[2S-[2a,2(S*),3a,4b,5a(2R*,5R*,6S*),6b[2S*[2R*,2'S*,5S*,5'S*(2R*,3R*,5S*,6R*)],3S*,4S*,5R*,7R*,9S*,10S*]]]-;Antibiotic A 28695A;Stereoisomer of6-[[3,9-dimethoxy-2,4,10-trimethyl-2-[octahydro-5'-(tetrahydro-6-hydroxy-3,5,6-trimethyl-2H-pyran-2-yl)[2,2'-bifuran]-5-yl]-1,6-dioxaspiro[4.5]dec-7-yl]methyl]tetrahydro-2-hydroxy-4-methoxy-a,3,5-trimethyl-5-[(tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy]-2H-pyran-2-aceticacid; |
| Density: | 1.2g/cm3 |
| Melting Point: | 101.5°C |
| Boiling Point: | 861.9°C at 760 mmHg |
| Flash Point: | 236.6°C |
| Safety: | Poison by ingestion and intravenous routes. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 188.52000 |
| LogP: | 5.59210 |
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Chemistry
Septamycin with CAS register number of 54927-63-8 is also named as Antibiotic A-28695A ; 55924-40-8 (hydrochloride salt) ; A28695A ; BRN 5221668 ; Septamycin, 6,16-didemethyl-27-methyl- ,and so on.
IUPAC Name: (2R)-2-[(2S,3R,4S,5S,6S)-2-Hydroxy-6-[[(2R,3R,4R,5S,7S,9R,10R)-2-[(5S)-5-[(2R,5R)-5-[(3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-3,9-dimethoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methyl]-4-methoxy-5-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]propanoic acid
CAS: 54927-63-8
Molecular Formula: C48H82O16
Molecular Weight: 915.1551
Molecular structure:
ACD/LogP: 5.09
#H bond acceptors: 16
#H bond donors: 2
#Freely Rotating Bonds: 16
Index of Refraction: 1.533
Molar Refractivity: 235.42 cm3
Molar Volume: 757.9 cm3
Polarizability: 93.33×10-24cm3
Surface Tension: 47.9 dyne/cm
Density: 1.2 g/cm3
Flash Point: 236.6 °C
Enthalpy of Vaporization: 142.35 kJ/mol
Boiling Point: 861.9 °C at 760 mmHg
Vapour Pressure: 1.25E-34 mmHg at 25°C
Uses
Septamycin (CAS No.54927-63-8) is commonly supposed to be used as chemical reagent.
Toxicity Data With Reference
| 1. | ivn-rat LD50:10 mg/kg | 85ERAY Antibiotics: Origin, Nature, and Properties. 1 (1978),800. | ||
| 2. | orl-mus LD50:41 mg/kg | 85GDA2 CRC Handbook of Antibiotic Compounds, Volumes 1-9. 5 (1981),486. | ||
| 3. | ivn-dog LD50:5 mg/kg | 85ERAY Antibiotics: Origin, Nature, and Properties. 1 (1978),800. |
Safety Profile
Septamycin (CAS No.54927-63-8) is poisonous by ingestion and intravenous routes. When heated to decomposition it emits acrid smoke and irritating fumes.