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(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid structure

CAS No:
6294-16-2
Formula:
C6H10O7
Chemical Name:
(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
Synonyms:
calcium pectate;calcium polygalacturonate;galacturonan;homogalacturonan;pectate;pectic acid;polygalacturonic acid;polygalacturonic acid homopolymer;polygalacturonic acid, aluminum salt;polygalacturonic acid, calcium salt;polygalacturonic acid, homopolymer (D)-isomer;polygalacturonic acid, homopolymer sodium salt;polygalacturonic acid, sulfated;sodium pectate;sodium polygalacturonate;alpha-D-Galacturonic acid;galacturonate;Galacturonan;alpha-D-galactopyranuronic acid;Calcium pectate;Sodium pectate;Calcium polygalacturonate;pectate;D-Galacturonan;Sulfated polygalacturonic acid;UNII-CEP8I6411H;Polygalacturonic Acid;6294-16-2;CEP8I6411H;NSC-9248;poly(1,4-alpha-D-galacturonate);25990-10-7;pectina;pectinas;pectine;pectines;Pectins;Pektine;Pektin;pectic substance;delta-galacturonan;Galactopyranuronic acid, alpha-D-;delta-Galacturonate;9046-38-2;delta-Galacturonic acid;MFCD00071585;bmse000228;D-Galacturonic acid (9CI);Alpha-delta-galacturonic acid;Galacturonic acid, D- (8CI);SCHEMBL12468784;Alpha-delta-polygalacturonic acid;CHEBI:15446;CHEBI:17309;CHEBI:33885;DTXSID60873878;poly[(1->4)-alpha-D-GalpA];Poly(1,4-alpha-D-galacturonide);Alpha-delta-galactopyranuronic acid;(1,4-alpha-D-Galacturonosyl)n+1;ZINC4228259;Poly(1,4-alpha-delta-galacturonate);DB03511;G0010;Q27094449;(2S,3R,4S,5R,6S)-3,4,5,6-Tetrahydroxytetrahydro-2H-pyran-2-carboxylic acid;alpha-D-galacturonic acid; D-galacturonic acid; galacturonic acid; ALPHA D-GALACTURONIC ACID

Description

Solid

Pectin is any mixture of complex, colloidal, macromolecular plant galacturonans containing a large proportion of D-galactopyranosyluronic acid residues in alpha-(1->4) linkage, the carboxy groups of which may be esterified to varying degrees by methyl groups or be partially or completely converted into salts. The structure shown is that of the parent polygalacturonan. It has a role as an antidiarrhoeal drug, a food stabiliser, a food emulsifier, a food thickening agent, a food gelling agent, a plant metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate acid of a pectate.|The α-anomer of D-galacturonic acid.

(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid Basic Attributes

Molecular Weight：

194.14 g/mol

Exact Mass：

194.04265265 g/mol

UNII：

CEP8I6411H

DSSTox ID：

DTXSID2094211

Characteristics

PSA：

127 Å²

Collision Cross Section：

145.3 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|131.3 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|131.4 Å² [M-H]-

Drug Information

MeSH Entry Terms：

calcium pectate

(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid Use and Manufacturing

Manufacturing Info：

Galacturonic acid, homopolymer: INACTIVE|XU - indicates a substance exempt from reporting under the Chemical Data Reporting Rule, (40 CFR 711).

Computed Properties

Molecular Weight:194.14
XLogP3:-2.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:194.04265265
Monoisotopic Mass:194.04265265
Topological Polar Surface Area:127
Heavy Atom Count:13
Complexity:205
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Hot Searches: cl2o7; methyl formate; hcl sds; 2 butanol; ethyl bromide; diclofenac sod ec 75 mg

Guide of (2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

Description
Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties
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