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3387-36-8 molecular structure
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disodium [5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate

ChemBase ID: 102338
Molecular Formular: C9H11N2Na2O9P
Molecular Mass: 368.144941
Monoisotopic Mass: 367.99975513
SMILES and InChIs

SMILES:
[Na+].[Na+].OC1C(O)C(OC1COP(=O)([O-])[O-])n1ccc(=O)[nH]c1=O
Canonical SMILES:
OC1C(O)C(OC1n1ccc(=O)[nH]c1=O)COP(=O)([O-])[O-].[Na+].[Na+]
InChI:
InChI=1S/C9H13N2O9P.2Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18;;/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18);;/q;2*+1/p-2
InChIKey:
KURVIXMFFSNONZ-UHFFFAOYSA-L

Cite this record

CBID:102338 http://www.chembase.cn/molecule-102338.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
disodium [5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
IUPAC Traditional name
dipotassium [5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
Synonyms
URIDINE-5'-MONOPHOSPHATE DISODIUM SALT DIHYDRATE
CAS Number
3387-36-8
EC Number
222-211-9
PubChem SID
162088136
PubChem CID
6100443

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02101211 external link Add to cart Please log in.
Data Source Data ID
PubChem 6100443 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.2255025  H Acceptors
H Donor LogD (pH = 5.5) -4.98036 
LogD (pH = 7.4) -6.070781  Log P -2.538808 
Molar Refractivity 61.1951 cm3 Polarizability 25.270445 Å3
Polar Surface Area 171.52 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
0°C expand Show data source
RTECS
YU7975000 expand Show data source
MSDS Link
Download expand Show data source
Purity
98-100% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02101211 external link
Disodium Salt
White crystalline powder
Purity: 98-100%

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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