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CAS No.: | 25348-64-5 |
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Name: | CONDURITOL B |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C6H10O4 |
Molecular Weight: | 146.143 |
Synonyms: | 5-Cyclohexene-1,2,3,4-tetrol,(1a,2b,3a,4b)-(?à)-;5-Cyclohexene-1,2,3,4-tetrol,trans-1,2,cis-1,3,trans-1,4-(?à)- (8CI);5-Cyclohexene-1,2,3,4-tetrol, (1a,2b,3a,4b)-;Conduritol B; |
Density: | 1.666 g/cm3 |
Melting Point: | 201-203 °C |
Boiling Point: | 281.9 °C at 760 mmHg |
Flash Point: | 141.3 °C |
PSA: | 80.92000 |
LogP: | -2.00020 |
This chemical is called (1R,2S,3S,4R)-cyclohex-5-ene-1,2,3,4-tetrol, and its CAS registry number is 25348-64-5. With the molecular formula of C6H10O4, its molecular weight is 146.14. Additionally, its product categories are All Inhibitors; Glycosidase Inhibitors.
Other characteristics of the (1R,2S,3S,4R)-cyclohex-5-ene-1,2,3,4-tetrol can be summarised as followings: (1)ACD/LogP: -2.76; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 80.92 Å2; (7)Index of Refraction: 1.693; (8)Molar Refractivity: 33.636 cm3; (9)Molar Volume: 87.695 cm3; (10)Polarizability: 13.334×10-24cm3; (11)Surface Tension: 75.52 dyne/cm; (12)Density: 1.666 g/cm3; (13)Flash Point: 141.347 °C; (14)Enthalpy of Vaporization: 60.442 kJ/mol; (15)Boiling Point: 281.926 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O[C@@H]1\C=C/[C@@H](O)[C@H](O)[C@H]1O
2.InChI: InChI=1/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H/t3-,4-,5+,6+/m1/s1
3.InChIKey: LRUBQXAKGXQBHA-ZXXMMSQZBR