D-Gulonic acid
Basic information
- CAS
20246-33-7- Standard SMILES
O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO- InChIKey
RGHNJXZEOKUKBD-KKQCNMDGSA-N- Molecular formula
- C6H12O7
- Average molar mass
- 196.16 g/mol
- Monoisotopic mass
- 196.05830272
Overview
D-gulonic acid is a gulonic acid having D-configuration. It is an enantiomer of a L-gulonic acid.
Names & identifiers
- Preferred name
- D-Gulonic acid
- IUPAC
- (2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
- English name
- Gulonic
- Molecular formula
- C6H12O7
- Molecular weight
- 196.16
Names & synonyms
D-Gulonic acid20246-33-7Gulonic acid, D-DTXSID201740901HB2H1463QCHEBI:87753RefChem:1082906DTXCID3096581Gulonic acid20246-53-1(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acidD-gulonate
Show more names
GulonicGulonateD-gulonic acid sodium saltD-Gulonic acid lithium salt
C6H12O7UNII-1HB2H1463QRGHNJXZEOKUKBD-KKQCNMDGSA-NSCHEMBL338748MFCD03265584AKOS0062763775627-26-9F865805
Database identifiers
- CAS
20246-33-7、20246-53-1- PubChem CID
- 152304
- DTXSID
DTXSID20174090- ChEBI
CHEBI:87753- UNII
- 1HB2H1463Q
- Nikkaji
- J1.434.340G
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- alpha
- 20 · D20 -6° (10 min) -38.6° (15 days)
- Boiling point
- 673.6 · 673.6±55.0 °C(Predicted)
- Density
- 1.763 · 1.763±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- pK (25°): 3.68
- InChI
- 1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4-,5-/m1/s1
- InChIKey
- RGHNJXZEOKUKBD-KKQCNMDGSA-N
- SMILES
- O[C@H]([C@@H](O)[C@@H](O)C(=O)O)[C@H](O)CO
- FDA UNII
- 1 HB2H1463Q · 1HB2H1463Q
- UNSPSC Code
- 12352205 · 12352205
- NACRES
- 79 · NA.79
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
Tissue LocationsPlacenta
Cellular LocationsEndoplasmic reticulum
Applications
UsesD-gulonic acid lithium salt can be utilized to investigate microbial metabolism, explore enzyme functional diversity in metabolic processes, characterize metabolic pathways, and understand carbon utilization, providing potential benefits in biotechnology, drug discovery, cell culture, and biomedical research.
Additional notes
DefinitionChEBI: A gulonic acid having D-configuration.
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