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Cas Database |
| Name |
5-Hydroxydihydrosterigmatocystin |
EINECS | N/A |
| CAS No. | 6795-16-0 | Density | 1.473g/cm3 |
| PSA | 78.13000 | LogP | 2.88280 |
| Solubility | N/A | Melting Point |
>300 °C |
| Formula | C18H14O6 | Boiling Point | 562°Cat760mmHg |
| Molecular Weight | 326.32 | Flash Point | 211.7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Dihydro-sterigmatocystin;CPD-4587;Dihydrosterigmatocystin; |
Article Data | 3 |
5-Hydroxydihydrosterigmatocystin Chemical Properties
Molecule structure of 5-Hydroxydihydrosterigmatocystin (CAS NO.6795-16-0):
Molecular Weight: 326.30016 g/mol
Molecular Formula: C18H14O6
Density: 1.473 g/cm3
Boiling Point: 561.987 °C at 760 mmHg
Flash Point: 211.715 °C
Index of Refraction: 1.664
Molar Refractivity: 82.14 cm3
Molar Volume: 221.457 cm3
Polarizability: 32.563×10-24 cm3
Surface Tension: 60.691 dyne/cm
Enthalpy of Vaporization: 87.643 kJ/mol
XLogP3-AA: 3.1
H-Bond Donor: 1
H-Bond Acceptor: 6
Rotatable Bond Count: 1
Tautomer Count: 5
Exact Mass: 326.079038
MonoIsotopic Mass: 326.079038
Topological Polar Surface Area: 74.2
Heavy Atom Count: 24
Complexity: 524
Canonical SMILES: COC1=C2C(=C3C4CCOC4OC3=C1)OC5=C(C2=O)C(=CC=C5)O
InChI: InChI=1S/C18H14O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-4,7-8,18-19H,5-6H2,1H3
InChIKey: RHGQIWVTIHZRLI-UHFFFAOYSA-N
Classification Code of 5-Hydroxydihydrosterigmatocystin (CAS NO.6795-16-0): Mutation data
5-Hydroxydihydrosterigmatocystin Toxicity Data With Reference
| 1. | dns-rat-lvr 10 µmol/L | MUREAV Mutation Research. 173 (1986),217. | ||
| 2. | dni-mky-kdy 2 mg/L | JNCIAM Journal of the National Cancer Institute. 48 (1972),1647. | ||
| 3. | uns-mky-kdy 2 mg/L | JNCIAM Journal of the National Cancer Institute. 48 (1972),1647. |
5-Hydroxydihydrosterigmatocystin Safety Profile
Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
5-Hydroxydihydrosterigmatocystin Specification
5-Hydroxydihydrosterigmatocystin (CAS NO.6795-16-0) is also named as 8-Hydroxy-6-methoxy-1,2,3aR,12cS-tetrahydro-7H-furo(3',2':4,5)furo(2,3-c)xanthen-7-one ; CCRIS 3210 ; Dihydrosterigmatocystin ; 7H-Furo(3',2':4,5)furo(2,3-c)xanthen-7-one, 1,2,3a,12c-tetrahydro-8-hydroxy-6-methoxy-, (3aR,12cS)- .
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