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D-Gluconic acid, delta-lactone

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Name

D-Gluconic acid, delta-lactone

EINECS N/A
CAS No. 54910-68-8 Density 1.721 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C6H10O6 Boiling Point 446.417 °C at 760 mmHg
Molecular Weight 178.14 Flash Point 192.294 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 54910-68-8 (D-Gluconic acid, delta-lactone) Hazard Symbols N/A
Synonyms

Glucono delta-lactone;Gluconic acid, .delta.-lactone, D-;3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-one;d-Talonic acid lactone;NSC 34393;

 

D-Gluconic acid, delta-lactone Specification

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

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