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526-95-4

526-95-4 structural image
Product Name: Gluconic acid
Formula: C6H12O7
Synonyms: 2,3,4,5,6-Pentahydroxycaproic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid; NKRA
Color/Form NEEDLES FROM ETHANOL & ETHER
Taste MILD ACID TASTE
Melting Point 131 °C
Solubility FREELY SOL IN WATER; SLIGHTLY SOL IN ALC, INSOLUBLE IN ETHER AND MOST OTHER ORGANIC SOLVENTS
Density 1.24 @ 25 °C/4 °C
LogP -1.87 (estimated)
Optical Rotation SPECIFIC OPTICAL ROTATION: -3.49 TO +12.95 DEG @ 25 °C/D (WATER); MUTAROTATORY; SADTLER REFERENCE NUMBER: 8335 (IR, PRISM)
Dissociation Constants 3.62
Collision Cross Section 141.89 Ų [M+H]+ [CCS Type: DT, Method: stepped-field]
Other Experimental Properties FAINT ODOR OF VINEGAR /COMMERCIAL PRODUCT/
Chemical Classes Other Classes -> Organic Acids

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05
GHS Hazard Statements H314:Skin corrosion/irritation
H318:Serious eye damage/eye irritation
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 196.16 g/mol
XLogP3 -3.4
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 5
Exact Mass 196.05830272 g/mol
Monoisotopic Mass 196.05830272 g/mol
Topological Polar Surface Area 138 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 170
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

D-gluconic acid is a gluconic acid having D-configuration. It has a role as a chelator and a Penicillium metabolite. It is a conjugate acid of a D-gluconate. It is an enantiomer of a L-gluconic acid.

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