Name: CONDURITOL B
SKU: 25348-64-5

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Basic Information

Molecular Structure:
CAS No.:	25348-64-5
Name:	CONDURITOL B
Article Data:	25

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

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Specification

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