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Folic acid dihydrate - 98%, high purity , CAS No.75708-92-8
a B-complex vitamin necessary for the body to produce red blood cells
Basic Description
Synonyms
DTXSID20273931 | MFCD00150769 | (2S)-2-[(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid dihydrate | AKOS037748830 | L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-, dihydr
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Product Description
Folic acid dihydrate is a B-complex vitamin necessary for the body to produce red blood cells.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pteridines and derivatives
Subclass
Pterins and derivatives
Intermediate Tree Nodes
Pteroic acids and derivatives - Folic acids and derivatives
Direct Parent
Folic acids
Alternative Parents
Glutamic acid and derivatives Hippuric acids N-acyl-alpha amino acids Aminobenzamides Aniline and substituted anilines Benzoyl derivatives Phenylalkylamines Pyrimidones Secondary alkylarylamines Aminopyrimidines and derivatives Dicarboxylic acids and derivatives Pyrazines Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Amino acids Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Folic acid - Glutamic acid or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Aminopyrimidine - Aralkylamine - Pyrimidone - Secondary aliphatic/aromatic amine - Pyrimidine - Pyrazine - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Vinylogous amide - Heteroaromatic compound - Carboxamide group - Amino acid or derivatives - Amino acid - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as folic acids. These are heterocyclic compounds based on the 4-[(pteridin-6-ylmethyl)amino]benzoic acid skeleton conjugated with one or more L-glutamate units.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
504773386
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504773386
IUPAC Name
(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;dihydrate
INCHI
InChI=1S/C19H19N7O6.2H2O/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28;;/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30);2*1H2/t12-;;/m0../s1
InChIKey
ODYNNYOEHBJUQP-LTCKWSDVSA-N
Smiles
C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N.O.O
Isomeric SMILES
C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N.O.O
Molecular Weight
477.44
Reaxy-Rn
40692850
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40692850&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Miscible with water
Molecular Weight
477.400 g/mol
XLogP3
Hydrogen Bond Donor Count
8
Hydrogen Bond Acceptor Count
12
Rotatable Bond Count
9
Exact Mass
477.161 Da
Monoisotopic Mass
477.161 Da
Topological Polar Surface Area
211.000 Ų
Heavy Atom Count
34
Formal Charge
0
Complexity
767.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
3
Citations of This Product
1.
Shouning Yang, Shengkun Wang, Yanmin Zhang, Yijing Wang, Jinhong Yuan, Yuqin Jiang, Xing He, Lihong Liu, Jian Song, Liang Chen, Huayan Yang.
(2023)
Heterojunction structured BiOCl-Bi2S3 nanosheets as mitochondria-targeted near-infrared photothermal and photodynamic therapy agent. COLLOIDS AND SURFACES B-BIOINTERFACES,
222
(113106).
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1 Citations
H2215282