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CAS No.: | 66007-89-4 |
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Name: | (2R)-2-[(2S,3S,4R,5R,6S)-6-[[(2R,3R,4R,7S,9R,10R)-2-[(5S)-5-[(2R,5R)-5-[(3S,5R,6S)-6-hydroxy-3,5,6-trimethyl-tetrahydropyran-2-yl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]-3,9-dimethoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methyl]-4-[(2S,5S,6R) |
Molecular Structure: | |
Formula: | C47H80O15•Na |
Molecular Weight: | 908.26 |
Synonyms: | SODIUM CARRIOMYCIN; |
Density: | 1.2g/cm3 |
Boiling Point: | 850.9°Cat760mmHg |
Flash Point: | 235.6°C |
Safety: | Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Na2O. |
PSA: | 182.12000 |
LogP: | 4.48840 |
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Empirical Formula of Sodium carriomycin (CAS NO.66007-89-4): C47H79NaO15
Molecular Weight: 907.1109 g/mol
Flash Point: 243.2 °C
Enthalpy of Vaporization: 144.14 kJ/mol
Boiling Point: 872.9 °C at 760 mmHg
Structure of Sodium carriomycin (CAS NO.66007-89-4):
IUPAC Name: Sodium 2-[2-hydroxy-6-[[2-[5-[5-(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-(5-methoxy-6-methyloxan-2-yl)oxy-3,5-dimethyloxan-2-yl]propanoate
Canonical SMILES: CC1CC(C(OC1C2CCC(O2)C3CCC(O3)C4(C(C(C5(O4)C(C(CC(O5)CC6C(C(C(C(O6)(C(C)C(=O)[O-])O)C)OC7CCC(C(O7)C)OC)C)OC)C)C)OC)C)(C)O)C.[Na+]
InChI: InChI=1S/C47H80O15.Na/c1-23-20-24(2)45(10,50)61-40(23)35-15-14-33(56-35)34-16-18-38(57-34)44(9)42(54-13)28(6)47(62-44)26(4)37(53-12)22-31(59-47)21-36-25(3)41(27(5)46(51,60-36)29(7)43(48)49)58-39-19-17-32(52-11)30(8)55-39;/h23-42,50-51H,14-22H2,1-13H3,(H,48,49);/q;+1/p-1
InChIKey: ZDMPQWOWHLMRKB-UHFFFAOYSA-M
1. | orl-mus LD50:2000 mg/kg | JANTAJ Journal of Antibiotics. 31 (1978),7. | ||
2. | ipr-mus LD50:125 mg/kg | JANTAJ Journal of Antibiotics. 31 (1978),7. |
Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition Sodium carriomycin (CAS NO.66007-89-4) emits toxic fumes of Na2O.
Sodium carriomycin , its cas register number is 66007-89-4. It also can be called Carriomycin, sodium salt ; and Antibiotic A 204A, 6,27-didemethoxy-, monosodium salt, (1'S)- .