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Cytidine 5'-(trihydrogen diphosphate), P'-[2-(trimethylammonio)ethyl] ester, inner salt - 10mM in Water, high purity , CAS No.987-78-0
Basic Description
Synonyms
citicoline | cytidine 5'-diphosphocholine | CDP-choline | 987-78-0 | citicholine | cytidine diphosphate choline | Citidoline | Cytidoline | Difosfocin | Cyscholin | Citicolinum | Citicolina | CDP-colina | cyticholine | Cytidine 5'-diphosphoric choline | Haocolin | Nicholin | Niticolin | Rec
Specifications & Purity
10mM in Water
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
Pyrimidine nucleotides
Subclass
Pyrimidine ribonucleotides
Intermediate Tree Nodes
Not available
Direct Parent
Pyrimidine ribonucleoside diphosphates
Alternative Parents
Pentose phosphates Glycosylamines Phosphocholines Monosaccharide phosphates Organic pyrophosphates Pyrimidones Aminopyrimidines and derivatives Monoalkyl phosphates Hydropyrimidines Imidolactams Tetraalkylammonium salts Tetrahydrofurans Heteroaromatic compounds Secondary alcohols 1,2-diols Oxacyclic compounds Azacyclic compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organopnictogen compounds Organic oxides Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidine ribonucleoside diphosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Phosphocholine - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Aminopyrimidine - Pyrimidone - Monoalkyl phosphate - Hydropyrimidine - Monosaccharide - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Imidolactam - Alkyl phosphate - Tetrahydrofuran - Quaternary ammonium salt - Tetraalkylammonium salt - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Organoheterocyclic compound - Oxacycle - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organopnictogen compound - Amine - Alcohol - Organic oxide - Organooxygen compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organic zwitterion - Primary amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidine ribonucleoside diphosphates. These are pyrimidine ribonucleotides with diphosphate group linked to the ribose moiety.
External Descriptors
phosphocholines - nucleotide-(amino alcohol)s
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
IUPAC Name
[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2-(trimethylazaniumyl)ethyl phosphate
INCHI
InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12-,13-/m1/s1
InChIKey
RZZPDXZPRHQOCG-OJAKKHQRSA-N
Smiles
C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O
Isomeric SMILES
C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O
Molecular Weight
488.32
Reaxy-Rn
31124611
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31124611&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air Sensitive,Hygroscopic,Heat Sensitive
Boil Point(°C)
851.4ºC at 760 mmHg
Melt Point(°C)
211 °C
Molecular Weight
488.320 g/mol
XLogP3
-4.000
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
11
Rotatable Bond Count
10
Exact Mass
488.107 Da
Monoisotopic Mass
488.107 Da
Topological Polar Surface Area
214.000 Ų
Heavy Atom Count
31
Formal Charge
0
Complexity
821.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
4
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
1
Citations of This Product
1.
Lin Jingjing, Song Xingying, Yin Hang, Song Nijia, Wang Yanchao, Li Zhen, Luo Feng, Tan Hong, He Xueling, Li Jiehua.
(2022)
Citicoline–liposome/polyurethane composite scaffolds regulate the inflammatory response of microglia to promote nerve regeneration. JOURNAL OF MATERIALS SCIENCE,
57
(3):
(2073-2088).
2.
Jing Li, Xiaoguo Ma, Mengyuan Zhang, Danping Li, Yong Yuan, Yinming Fan, Xiaowen Xie, Lihui Guo, Guolong Zeng.
(2019)
Preparation of Molecularly Imprinted Polymer Sensor on Electrochemically Reduced Graphene Oxide Modified Electrode for Selective Probing of Thiabendazole. JOURNAL OF THE ELECTROCHEMICAL SOCIETY,
166
(2):
(B84).
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2 Citations