CAS No.1183-35-3,DIHYDROOUABAIN Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1183-35-3
Name:	DIHYDROOUABAIN
Article Data:	4

Formula:	C₂₉H₄₆O₁₂
Molecular Weight:	586.677
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;
EINECS:	214-663-0
Density:	1.49 g/cm³
Melting Point:	168-170 °C
Boiling Point:	827.7 °C at 760 mmHg
Flash Point:	268.5 °C
Hazard Symbols:	T
Risk Codes:	23/24/25
Safety:	36/37/39-45
PSA:	206.60000
LogP:	-1.43510

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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