Basic information
- CAS
9046-40-6- Standard SMILES
O=C(O)[C@H]1OC(O[C@@H]2[C@H](O)[C@@H](O)C(O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O- InChIKey
LCLHHZYHLXDRQG-ZNKJPWOQSA-N- Molecular formula
- C18H26O19
- Average molar mass
- 546.4 g/mol
- Monoisotopic mass
- 546.1068286
Overview
(2S,3R,4S,5R)-6-[(2S,3R,4R,5R)-2-carboxy-6-[(2S,3R,4R,5R,6S)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid has been reported in Stylosanthes humilis with data available.
Names & identifiers
- Preferred name
- GlyTouCan:G17456LM
- IUPAC
- (2S,3R,4S,5R)-6-[(2S,3R,4R,5R)-2-carboxy-6-[(2S,3R,4R,5R,6S)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- English name
- Pectic acid
- Molecular formula
- C18H26O19
- Molecular weight
- 546.38764
Names & synonyms
RefChem:957421GlyTouCan:G17456LMG17456LM9046-40-6(2S,3R,4S,5R)-6-[(2S,3R,4R,5R)-2-carboxy-6-[(2S,3R,4R,5R,6S)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acidSCHEMBL27154937High methylated alpha(1-4) linked D-galacturonate extracted and purified from citrus pectins. Sodium salt.Degree of esterification (DE)>65%. [9046-40-6]Pectic acidPectic Acid purePECTIC ACID techMethyl protopectinPECTIC ACID FROM APPLES
Show more names
Pectic acid, ≥85% esterifiedpectin, esterified from citrus fruitPECTIN, ESTERIFIED, DEGREE OF*ESTERIPectic acid from apple, Poly-D-galacturonic acidGalacturonate polysaccharides HM from citrus (sodium salt)
Properties
Computed structural properties
- XLogP
- -6.1
- Topological polar surface area
- 320 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 853
Physicochemical properties
- form
- powder
- biological source
- synthetic
- SCOGS (Select Committee on GRAS Substances)
- Pectinic acid
- UNSPSC Code
- 12352201 · 12352201
- NACRES
- 25 · NA.25
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 13 · 13 - Non 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.
Hazard information
Regulatory InformationPectic acid: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 13 - Non Combustible Solids
Chemistry & industry
Applications
Usesforms strong resilient films and fibers
UsesThose pectic substances that are essentially void of methoxyl groups and have carboxyl groups only. They have varying degrees of neutralization. The divalent salts are slightly soluble in water and must be converted to the sodium or potassium forms for dissolution. It gels in the presence of calcium or other divalent cations.
Upstream & downstream products
Downstream products
Suppliers13 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
BOC Sciences
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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