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CAS No.: | 87-46-7 |
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Name: | Borogluconate |
Molecular Structure: | |
Formula: | C6H11BO8 |
Molecular Weight: | 221.9577 |
Synonyms: | Gluconicacid, cyclic 4,5-(hydrogen borate), D- (8CI);1,3,2-Dioxaborolane, D-gluconicacid deriv.; |
Density: | 1.68 g/cm3 |
Boiling Point: | 530.9 °C at 760 mmHg |
Flash Point: | 274.9 °C |
PSA: | 136.68000 |
LogP: | -3.45370 |
The Borogluconate is an organic compound with the formula C6H11BO8. The IUPAC name of this chemical is 2,3-dihydroxy-3-[2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborolan-4-yl]propanoic acid. With the CAS registry number 87-46-7, it is also named as D-Gluconic acid, cyclic 4,5-ester with boric acid.
Physical properties about Borogluconate are: (1)#H bond acceptors: 8; (2)#H bond donors: 5; (3)#Freely Rotating Bonds: 8; (4)Polar Surface Area: 81.68 ?2; (5)Index of Refraction: 1.558; (6)Molar Refractivity: 42.43 cm3; (7)Molar Volume: 131.5 cm3; (8)Polarizability: 16.82×10-24cm3; (9)Surface Tension: 83.4 dyne/cm; (10)Density: 1.68 g/cm3; (11)Flash Point: 274.9 °C; (12)Enthalpy of Vaporization: 92.75 kJ/mol; (13)Boiling Point: 530.9 °C at 760 mmHg; (14)Vapour Pressure: 1.73E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(O)C(O)C1OB(OC1CO)O
(2)InChI: InChI=1/C6H11BO8/c8-1-2-5(15-7(13)14-2)3(9)4(10)6(11)12/h2-5,8-10,13H,1H2,(H,11,12)
(3)InChIKey: KJEUMRLAKARHEP-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H11BO8/c8-1-2-5(15-7(13)14-2)3(9)4(10)6(11)12/h2-5,8-10,13H,1H2,(H,11,12)
(5)Std. InChIKey: KJEUMRLAKARHEP-UHFFFAOYSA-N