- Rubratoxin B
- Rubratoxin B, dihydro-
- Rubratoxin B, monosodium
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| Name |
Rubratoxin B, monosodium |
EINECS | N/A |
| CAS No. | 25255-23-6 | Density | N/A |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C26H30 O11 . Na | Boiling Point | N/A |
| Molecular Weight | 540.54 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Rubratoxin B, monosodium Chemical Properties
Molecule structure of Rubratoxin B, monosodium (CAS NO.25255-23-6):
Molecular Weight: 540.49163 g/mol
Molecular Formula: C26H29NaO11
Boiling Point: 812.7 °C at 760 mmHg
Flash Point: 273.6 °C
Enthalpy of Vaporization: 134.49 kJ/mol
Vapour Pressure: 1.4E-30 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 11
Rotatable Bond Count: 8
Exact Mass: 540.160756
MonoIsotopic Mass: 540.160756
Topological Polar Surface Area: 177
Heavy Atom Count: 38
Complexity: 1100
Canonical SMILES: CCCCCCC(C1C(C2=C(CC(CC3=C1C(=O)OC3=O)C(C4C=CCC(=O)O4)[O-])C(=O)OC2=O)O)O.[Na+]
InChI: InChI=1S/C26H29O11.Na/c1-2-3-4-5-7-15(27)20-18-13(23(31)36-25(18)33)10-12(21(29)16-8-6-9-17(28)35-16)11-14-19(22(20)30)26(34)37-24(14)32;/h6,8,12,15-16,20-22,27,30H,2-5,7,9-11H2,1H3;/q-1;+1
InChIKey of Rubratoxin B, monosodium (CAS NO.25255-23-6): KURIVZDHMLMUTR-UHFFFAOYSA-N
Rubratoxin B, monosodium Toxicity Data With Reference
| 1. | ipr-mus LD50:4200 µg/kg | BCPCA6 Biochemical Pharmacology. 19 (1970),612. |
Rubratoxin B, monosodium Safety Profile
A poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors.
Rubratoxin B, monosodium Specification
Rubratoxin B, monosodium (CAS NO.25255-23-6) is also named as 1H-Cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone, 10-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-, monosodium salt, (4R*,5S*(R*),10S*(S*,S*))- .
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