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CAS No.: | 54910-68-8 |
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Name: | D-Gluconic acid, delta-lactone |
Molecular Structure: | |
Formula: | C6H10O6 |
Molecular Weight: | 178.14 |
Synonyms: | Glucono delta-lactone;Gluconic acid, .delta.-lactone, D-;3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-one;d-Talonic acid lactone;NSC 34393; |
Density: | 1.721 g/cm3 |
Boiling Point: | 446.417 °C at 760 mmHg |
Flash Point: | 192.294 °C |
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The D-Gluconic acid, delta-lactone, with the CAS registry number 54910-68-8, is also known as d-Talonic acid lactone. This chemical's molecular formula is C6H10O6 and molecular weight is 178.14. What's more, its IUPAC name is 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one.
Physical properties of D-Gluconic acid, delta-lactone are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 107.22 Å2; (10)Index of Refraction: 1.608; (11)Molar Refractivity: 35.795 cm3; (12)Molar Volume: 103.526 cm3; (13)Polarizability: 14.19×10-24cm3; (14)Surface Tension: 98.443 dyne/cm; (15)Density: 1.721 g/cm3; (16)Flash Point: 192.294 °C; (17)Enthalpy of Vaporization: 81.303 kJ/mol; (18)Boiling Point: 446.417 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C1C(C(C(C(=O)O1)O)O)O)O
(2)InChI: InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2
(3)InChIKey: PHOQVHQSTUBQQK-UHFFFAOYSA-N