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6757-06-8 molecular structure
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sodium [5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

ChemBase ID: 131216
Molecular Formular: C9H13N3NaO8P
Molecular Mass: 345.178351
Monoisotopic Mass: 345.0337953
SMILES and InChIs

SMILES:
c1cn(c(=O)nc1N)C1C(C(C(O1)COP(=O)(O)[O-])O)O.[Na+]
Canonical SMILES:
OC1C(O)C(OC1n1ccc(nc1=O)N)COP(=O)(O)[O-].[Na+]
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
InChIKey:
AJCAHIYEOVKFDR-UHFFFAOYSA-M

Cite this record

CBID:131216 http://www.chembase.cn/molecule-131216.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium [5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
{[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid sodium
IUPAC Traditional name
sodium [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
poly C sodium
Synonyms
C-5′-P
CMP
Cytidine 5′-monophosphate disodium salt
CAS Number
6757-06-8
EC Number
229-819-3
MDL Number
MFCD00064355
PubChem SID
162225494
24892293
PubChem CID
23713921

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
C1006 external link Add to cart Please log in.
Data Source Data ID
PubChem 23713921 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.2485515  H Acceptors
H Donor LogD (pH = 5.5) -5.362575 
LogD (pH = 7.4) -6.4509172  Log P -3.1546948 
Molar Refractivity 64.296 cm3 Polarizability 25.954365 Å3
Polar Surface Area 177.97 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
crystalline expand Show data source
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
2-8°C expand Show data source
Purity
≥99% expand Show data source
Grade
Sigma Grade expand Show data source
Biological Source
from corn expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - C1006 external link
Application
Cytidine 5′-monophosphate (CMP) is used as a substrate of uridine monophosphate (UMP)/cytidine monophosphate (CMP) kinase (EC 2.7.4.4) to form CDP which upon phosphorylation to CTP supports DNA and RNA biosynthesis.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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