Cytidine 5'-Monophosphate Disodium SaltProduct ingredient forCytidine-5'-Monophosphate

Name
Cytidine 5'-Monophosphate Disodium Salt
Drug Entry
Cytidine-5'-Monophosphate

A pyrimidine ribonucleoside 5'-monophosphate having cytosine as the nucleobase.

Accession Number
DBSALT002393
Structure
Synonyms
Not Available
UNII
383W8FIS5C
CAS Number
Not Available
Weight
Average: 345.18
Monoisotopic: 345.03379567
Chemical Formula
C9H13N3NaO8P
InChI Key
AJCAHIYEOVKFDR-IAIGYFSYSA-M
InChI
InChI=1S/C9H14N3O8P.Na/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18;/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18);/q;+1/p-1/t4-,6-,7-,8-;/m1./s1
IUPAC Name
sodium [(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
SMILES
[Na+].NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
ChemSpider
24731319
ChEMBL
CHEMBL1627075
Predicted Properties
Property Value Source
Water Solubility 22.3 mg/mL ALOGPS
logP -1.9 ALOGPS
logP -3.2 Chemaxon
logS -1.2 ALOGPS
pKa (Strongest Acidic) 1.25 Chemaxon
pKa (Strongest Basic) -0.15 Chemaxon
Physiological Charge -2 Chemaxon
Hydrogen Acceptor Count 9 Chemaxon
Hydrogen Donor Count 4 Chemaxon
Polar Surface Area 177.97 Å2 Chemaxon
Rotatable Bond Count 4 Chemaxon
Refractivity 64.3 m3·mol-1 Chemaxon
Polarizability 26.53 Å3 Chemaxon
Number of Rings 2 Chemaxon
Bioavailability 1 Chemaxon
Rule of Five Yes Chemaxon
Ghose Filter No Chemaxon
Veber's Rule No Chemaxon
医学博士DR-like Rule No Chemaxon