DIPROPYLENE GLYCOL

Relevant Data

Food Additives Approved by WHO:

DIPROPYLENE GLYCOL [show]

General Information

Mainterm	DIPROPYLENE GLYCOL
CAS Reg.No.(or other ID)	25265-71-8
Regnum	175.105 175.320 178.3910 176.170 177.1200 177.2420 176.200

From www.fda.gov

Computed Descriptors

2D Structure
CID	22841447
IUPAC Name	dipotassium;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl phosphate
InChI	InChI=1S/C10H13N4O8P.2K/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1
InChI Key	DLDSRSUKRMPQKB-IDIVVRGQSA-L
Canonical SMILES	C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[K+].[K+]
Molecular Formula	C10H11K2N4O8P
Wikipedia	dipotassium 5'-inosinate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	424.388
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Complexity	544.0
CACTVS Substructure Key Fingerprint	A A A D c c B z v A I A Y A A A A A A A A A A A A A A A A W J A A A A g A A A A A A A A A E A B g A A A H g A Q C C A A C B z h l g Y F s B f M F x C o Q Q d x d I C A g C 0 X E K A B U I G o V E C D W A p A y C A e Q I A P A A L T A G D 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	181.0
Monoisotopic Mass	423.959
Exact Mass	423.959
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	25
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
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 ribonucleotides
Intermediate Tree Nodes	Not available
Direct Parent	Purine ribonucleoside monophosphates
Alternative Parents	Pyrimidones N-substituted imidazoles 6-oxopurines Monosaccharide phosphates Pentose phosphates Hypoxanthines Glycosylamines Vinylogous amides Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organic zwitterions 1,2-diols Alkyl phosphates Oxolanes Organic potassium salts Oxacyclic compounds Secondary alcohols Azacyclic compounds Heteroaromatic compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Purine ribonucleoside monophosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - 6-oxopurine - Hypoxanthine - Monosaccharide phosphate - Imidazopyrimidine - Purine - Pyrimidone - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Vinylogous amide - Azole - Imidazole - Heteroaromatic compound - Oxolane - Secondary alcohol - 1,2-diol - Organoheterocyclic compound - Organic alkali metal salt - Azacycle - Oxacycle - Organic salt - Organic nitrogen compound - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic potassium salt - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.

From ClassyFire