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Cas Database |
| Name |
Dihydroouabain |
EINECS | 214-663-0 |
| CAS No. | 1183-35-3 | Density | 1.49 g/cm3 |
| PSA | 206.60000 | LogP | -1.43510 |
| Solubility | N/A | Melting Point |
168-170 °C |
| Formula | C29H46O12 | Boiling Point | 827.7 °C at 760 mmHg |
| Molecular Weight | 586.677 | Flash Point | 268.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 36/37/39-45 | Risk Codes | 23/24/25 |
| Molecular Structure |
|
Hazard Symbols |
 T
|
| Synonyms |
5b,20x-Cardanolide, 3b-[(6-deoxy-a-L-mannopyranosyl)oxy]-1b,5,11a,14,19-pentahydroxy- (8CI);Ouabain, dihydro- (6CI,7CI);Dihydro-g-strophanthin;Dihydroouabain; |
Article Data | 4 |
Dihydroouabain Specification
The Dihydroouabain is an organic compound with the formula C29H46O12. The systematic name of this chemical is 3-[(6-deoxyhexopyranosyl)oxy]-1,5,11,14,19-pentahydroxycardanolid. With the CAS registry number 1183-35-3, the product's categories are Cardioglycosides & Glycosides; Ion Pump InhibitorsMonovalent Ion Channels; Monovalent Ion Channels; Other Sodium Channel Modulators; Sodium Channel Modulators; Voltage-gated Ion Channels.
Physical properties about Dihydroouabain are: (1)ACD/LogP: -1.71; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -1.71; (4)ACD/LogD (pH 7.4): -1.71; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.79; (8)ACD/KOC (pH 7.4): 2.79; (9)#H bond acceptors: 12; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 118.6 Å2; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 141.46 cm3; (15)Molar Volume: 392.1 cm3; (16)Polarizability: 56.08×10-24cm3; (17)Surface Tension: 81.4 dyne/cm; (18)Density: 1.49 g/cm3; (19)Flash Point: 268.5 °C; (20)Enthalpy of Vaporization: 136.88 kJ/mol; (21)Boiling Point: 827.7 °C at 760 mmHg; (22)Vapour Pressure: 8.89E-32 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OCC(C1)C4CCC5(O)C3CCC6(O)CC(OC2OC(C(O)C(O)C2O)C)CC(O)C6(CO)C3C(O)CC45C
(2)InChI: InChI=1/C29H46O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h13-19,21-25,30-32,34-38H,3-12H2,1-2H3
(3)InChIKey: ZTFGOPUOTATSAL-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C29H46O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h13-19,21-25,30-32,34-38H,3-12H2,1-2H3
(5)Std. InChIKey: ZTFGOPUOTATSAL-UHFFFAOYSA-N
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