Basic information
- CAS
12672-40-1- Standard SMILES
O=C(O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O- InChIKey
AEMOLEFTQBMNLQ-BKBMJHBISA-N- Molecular formula
- C6H10O7
- Average molar mass
- 194.14 g/mol
- Monoisotopic mass
- 194.04265265
Overview
Pectin is a heteropolysaccharide containing a large proportion of D-galactopyranosyluronic acid residues in alpha-(14) linkage, of which the hydroxy groups at positions C2 and C3 may be acetylated and carboxy groups at positions C6 may be esterified to varying degrees by methyl groups or be partially or completely converted into salts. It has a role as an antidiarrhoeal drug, a food emulsifier, a Saccharomyces cerevisiae metabolite, a plant metabolite, a food stabiliser, a food thickening agent and a food gelling agent. It is functionally related to a homogalacturonan.
Names & identifiers
- Preferred name
- alpha-D-GALACTURONIC ACID
- IUPAC
- (2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
- English name
- Polygalacturonic acid
- Molecular formula
- (C6H10O7)x
- Molecular weight
- 194.14
Names & synonyms
alpha-D-Galacturonic acidalpha-D-galactopyranuronic acid6294-16-2NSC-9248UNII-CEP8I6411HCEP8I6411HGalactopyranuronic acid, alpha-D-CHEBI:33885DTXSID60873878RefChem:6807DTXCID001012078D-GALACTURONIC ACID alpha-FORM
Show more names
PECTIC ACIDPEKTINIC ACIDPolygalacturonic aciPolygalacturonic acidGalacturonic acid polymerPOLYANHYDROGALACTURONIC ACIDGalacturonic acid, homopolymerPOLYGALACTURONIC ACID FROM ORANGEEupatorium galactooligosaccharidesPOLYGALACTURONIC ACID, >=90% (ENZYMA
alpha-D-GALACTURONIC ACID (CONSTITUENT OF CRANBERRY LIQUID PREPARATION)galacturonateCalcium pectateD-Galacturonan(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid(2S,3R,4S,5R,6S)-3,4,5,6-Tetrahydroxytetrahydro-2H-pyran-2-carboxylic acidGalactopyranuronic acid, .alpha.-D-.alpha.-D-Galacturonic acid
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionSolid
Collision Cross Section
145.3 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
131.4 Ų [M-H]-
Physicochemical properties
- Melting point
- 60 · 60~61℃
- storage temp.
- Refrigerator
- solubility
- 1 %, · aqueous NaOH: 1%, clear to hazy
- form
- Solid
- color
- Pale Beige
- biological source
- synthetic
- optical activity
- 280 · +280
- Water Solubility
- Soluble in water.
- Sensitive
- Hygroscopic
- InChI
- 1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6-/m0/s1
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
- F
- 3
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 1302201015
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesPolygalacturonic Acid is found in ripe fruits and some vegetables and is a degradation product of pectin in plants.
UsesPolygalacturonic acid may be used to identify, differentiate and characterize plant cell wall degrading polygalacturonase(s) from fungi.
General DescriptionPolygalacturonic acid is composed of galacturonic acid unit arranged as a long polymer chain. Methyl esters of polygalacturonic acid forms pectin.
Suppliers90 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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