Pectin (apple)

CAT: 0286-P01500-01Size: 250 gDry Ice: NoHazardous: No

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CAT#:0286-P01500-01Size:250 g

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CAS Number

9000-69-5

Synonyms

Poly-D-galacturonic acid methyl ester

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00081838

Hazard Statement

H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.

DOT Name

Not D.O.T.-Regulated

Precautions

P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Pectin

Beta-D-galacturonic acid is a D-galactopyranuronic acid with a beta-configuration at the anomeric center. It is a conjugate acid of a beta-D-galacturonate.

CAS Number	9000-69-5
PubChem CID	441476
IUPAC Name	(2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
Molecular Formula	C6H10O7
Molecular Weight	194.14
XLogP	-2.3
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	205

SMILES

[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O

InChI

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

InChIKey

AEMOLEFTQBMNLQ-DTEWXJGMSA-N

Chemical Structure

2D Structure

CAS: 9000-69-5

CID: 441476

Formula: C6H10O7

MW: 194.14

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
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 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	205
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Pectin (apple)

Chemical Information

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