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MFCD00069770 molecular structure
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[({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid sodium

ChemBase ID: 133698
Molecular Formular: C9H15N3NaO11P2
Molecular Mass: 426.166192
Monoisotopic Mass: 426.00795086
SMILES and InChIs

SMILES:
c1cn(c(=O)nc1N)C1C(C(C(O1)COP(=O)(O)OP(=O)(O)O)O)O.[Na]
Canonical SMILES:
OC1C(COP(=O)(OP(=O)(O)O)O)OC(C1O)n1ccc(nc1=O)N.[Na]
InChI:
InChI=1S/C9H15N3O11P2.Na/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18);
InChIKey:
YAXSLIGLLVGXDC-UHFFFAOYSA-N

Cite this record

CBID:133698 http://www.chembase.cn/molecule-133698.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid sodium
IUPAC Traditional name
cytidine diphosphate sodium
Synonyms
CDP sodium salt hydrate
Cytidine 5′-diphosphate sodium salt hydrate
MDL Number
MFCD00069770
PubChem SID
24893191
162227975
PubChem CID
16219188

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
C9755 external link Add to cart Please log in.
Data Source Data ID
PubChem 16219188 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.7790669  H Acceptors 11 
H Donor LogD (pH = 5.5) -7.7458944 
LogD (pH = 7.4) -8.376884  Log P -3.3428817 
Molar Refractivity 76.2906 cm3 Polarizability 30.864689 Å3
Polar Surface Area 221.67 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥95% expand Show data source
Biological Source
from yeast expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - C9755 external link
Application
Cytidine 5′-diphosphate (CDP) is used as a substrate of CDP (nucleoside diphosphate) kinase (2.7.4.6) to produce CTP in support ofDNA and RNA biosynthesis and of ribonucleotide reductase to product dCMP.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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