GUAR, GUM (CYAMOPSIS TETRAGONOLOBUS (L.))

Relevant Data

Food Additives Approved by WHO:

GUAR GUM [show]

Food Additives Approved by European Union:

Guar gum [show]

General Information

Mainterm	GUAR, GUM (CYAMOPSIS TETRAGONOLOBUS (L.))
Doc Type	ASP
CAS Reg.No.(or other ID)	9000-30-0
Regnum	150.141 150.161 133.124 133.178 133.179 184.1339

From www.fda.gov

Computed Descriptors

2D Structure
CID	44134661
IUPAC Name	disodium;[[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
InChI	InChI=1S/C10H16N5O12P3.2Na/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19;;/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19);;/q;2*+1/p-2
InChI Key	JEKDCIBJADJZSK-UHFFFAOYSA-L
Canonical SMILES	C1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+]
Molecular Formula
Wikipedia	Guar gum

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	535.146
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	8
Complexity	758.0
CACTVS Substructure Key Fingerprint	A A A D c c B z v D M A A A A A A A A A A A A A A A A A A W J A A A A s A A A A A A A A A F g B + A A A H g A Q C C A A C B z h l w Y F 8 L 9 M F x C g Q Q Z h Z I C A g C 0 R E K A B U C A o V B C B W A J A y E A e R A g P A A L D A C C w M A I A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area	265.0
Monoisotopic Mass	534.965
Exact Mass	534.965
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	32
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	3

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Nucleosides, nucleotides, and analogues
Class	Purine nucleotides
Subclass	Purine deoxyribonucleotides
Intermediate Tree Nodes	Purine deoxyribonucleoside triphosphates
Direct Parent	Purine 2'-deoxyribonucleoside triphosphates
Alternative Parents	Organopnictogen compounds N-substituted imidazoles Imidolactams Aminopyrimidines and derivatives Primary amines Hydrocarbon derivatives Organic oxides Organic zwitterions Organic sodium salts Heteroaromatic compounds Alkyl phosphates 6-aminopurines Oxacyclic compounds Tetrahydrofurans Secondary alcohols Azacyclic compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Purine 2'-deoxyribonucleoside triphosphate - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Imidolactam - Pyrimidine - Alkyl phosphate - Azole - Imidazole - Heteroaromatic compound - Tetrahydrofuran - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Organic alkali metal salt - Organic zwitterion - Primary amine - Organic sodium salt - Organooxygen compound - Organonitrogen compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as purine 2'-deoxyribonucleoside triphosphates. These are purine nucleotides with triphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.

From ClassyFire