RIBOFLAVIN 5'-PHOSPHATE, SODIUM

Relevant Data

Food Additives Approved by WHO:

RIBOFLAVIN 5'-PHOSPHATE SODIUM [show]

General Information

Mainterm	RIBOFLAVIN 5'-PHOSPHATE, SODIUM
Doc Type	EAF
CAS Reg.No.(or other ID)	130-40-5
Regnum	184.1697

From www.fda.gov

Computed Descriptors

2D Structure
CID	23666409
IUPAC Name	sodium;[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate
InChI	InChI=1S/C17H21N4O9P.Na/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29;/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29);/q;+1/p-1/t11-,12+,14-;/m0./s1
InChI Key	OHSHFZJLPYLRIP-BMZHGHOISA-M
Canonical SMILES	CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)[O-])O)O)O.[Na+]
Molecular Formula	C17H20N4NaO9P
Wikipedia	flavin mononucleotide

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	478.33
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Complexity	856.0
CACTVS Substructure Key Fingerprint	A A A D c e B 7 v C 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 w Q I A A A A A A A A C B A A A A H g A Q C C A A D B z h m A Y z w I P A A x C o Q y d y d I C C A A E h A g A B i A E o d I i L c C r A 2 Z G U Y A h n h S L Z y A f w k I I O i A A A Q A A Q A C A Q A A C A A C A A Q A A A A A A A A A = =
Topological Polar Surface Area	204.0
Monoisotopic Mass	478.087
Exact Mass	478.087
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	32
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	2

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Nucleosides, nucleotides, and analogues
Class	Flavin nucleotides
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Flavin nucleotides
Alternative Parents	Organopnictogen compounds Pyrimidones Organonitrogen compounds Polyols Vinylogous amides Hydrocarbon derivatives Lactams Organic oxides Organic zwitterions Benzenoids Heteroaromatic compounds Alkyl phosphates Quinoxalines Pyrazines Organic sodium salts Secondary alcohols Azacyclic compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Flavin nucleotide - Flavin - Isoalloxazine - Diazanaphthalene - Quinoxaline - Pteridine - Pyrimidone - Phosphoric acid ester - Organic phosphoric acid derivative - Pyrazine - Pyrimidine - Benzenoid - Alkyl phosphate - Vinylogous amide - Heteroaromatic compound - Secondary alcohol - Lactam - Azacycle - Polyol - Organic alkali metal salt - Organoheterocyclic compound - Organic nitrogen compound - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic sodium salt - Organic oxygen compound - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as flavin nucleotides. These are nucleotides containing a flavin moiety. Flavin is a compound that contains the tricyclic isoalloxazine ring system, which bears 2 oxo groups at the 2- and 4-positions.

From ClassyFire