Empirical Formula of Anhydromyriocin (CAS NO.35891-69-1): C21H37NO5
Molecular Weight: 383.5222
Index of Refraction: 1.503
Density: 1.073 g/cm3
Flash Point: 311.7 °C
Enthalpy of Vaporization: 101.3 kJ/mol
Boiling Point: 591.8 °C at 760 mmHg
Vapour Pressure: 1.8E-16 mmHg at 25 °C
Structure of Anhydromyriocin (CAS NO.35891-69-1):
IUPAC Name: (3S,4R,5R)-3-Amino-4-hydroxy-3-(hydroxymethyl)-5-[(E)-10-oxohexadec-2-enyl]oxolan-2-one
Canonical SMILES: CCCCCCC(=O)CCCCCCC=CCC1C(C(C(=O)O1)(CO)N)O
Isomeric SMILES: CCCCCCC(=O)CCCCCC/C=C/C[C@@H]1[C@@H]([C@](C(=O)O1)(CO)N)O
InChI: InChI=1S/C21H37NO5/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18-19(25)21(22,16-23)20(26)27-18/h9,12,18-19,23,25H,2-8,10-11,13-16,22H2,1H3/b12-9+/t18-,19+,21+/m1/s1
InChIKey: SWRBTIXRGZAKBN-GNTQXERDSA-N
1. | ipr-rat LD50:37 mg/kg | 85ERAY Antibiotics: Origin, Nature, and Properties. 3 (1978),2067. | ||
2. | orl-mus LD50:100 mg/kg | 85ERAY Antibiotics: Origin, Nature, and Properties. 3 (1978),2067. | ||
3. | ipr-mus LD50:75 mg/kg | 85ERAY Antibiotics: Origin, Nature, and Properties. 3 (1978),2067. |
Poison by ingestion and intraperitoneal routes. When heated to decomposition Anhydromyriocin (CAS NO.35891-69-1) emits toxic fumes such as NOx.
Anhydromyriocin , its cas register number is 35891-69-1. It also can be called 2(3H)-Furanone, 3-aminodihydro-4-hydroxy-3-(hydroxymethyl)-5-(10-oxo-2-hexadecenyl)-, (3S-(3-alpha,4-alpha,5-alpha(E)))- .
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