5-Cyclohexene-1,2,3,4-tetrol,(1R,2S,3R,4S)-rel- supplier

Name
CONDURITOL A
EINECS 200-258-5
CAS No. 526-87-4
Article Data32
CAS DataBase
Density 1.666 g/cm³
Solubility
Melting Point 142-143 °C
Formula C₆H₁₀O₄
Boiling Point 281.9 °C at 760 mmHg
Molecular Weight 146.143
Flash Point 141.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Cyclohexene-1,2,3,4-tetrol,(1a,2b,3b,4a)-;Conduritol (6CI,7CI,8CI);Conduritol A;Kondurite;5-Cyclohexene-1,2,3,4-tetrol;
PSA 80.92000
LogP -2.00020

5-Cyclohexene-1,2,3,4-tetrol,(1R,2S,3R,4S)-rel- Specification

The 5-Cyclohexene-1,2,3,4-tetrol,(1R,2S,3R,4S)-rel- with CAS registry number of 526-87-4 belongs to the classes of All Inhibitors; Glycosidase Inhibitors and Inhibitors. The IUPAC name is cyclohex-5-ene-1,2,3,4-tetrol. In addition, the formula is C₆H₁₀O₄ and the molecular weight is 146.14.

Physical properties about this chemical are: (1)ACD/LogP: -1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.21; (4)ACD/LogD (pH 7.4): -1.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.26; (8)ACD/KOC (pH 7.4): 5.26; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 36.92 Å²; (13)Index of Refraction: 1.693; (14)Molar Refractivity: 33.63 cm³; (15)Molar Volume: 87.6 cm³; (16)Polarizability: 13.33 ×10^-24cm^3; (17)Surface Tension: 75.5 dyne/cm; (18)Density: 1.666 g/cm³; (19)Flash Point: 141.3 °C; (20)Enthalpy of Vaporization: 60.44 kJ/mol; (21)Boiling Point: 281.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000409 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC1\C=C/C(O)C(O)C1O
(2)InChI: InChI=1/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H
(3)InChIKey: LRUBQXAKGXQBHA-UHFFFAOYAG

Product Name

CONDURITOL A

5-Cyclohexene-1,2,3,4-tetrol,(1R,2S,3R,4S)-rel- Specification

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