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21931-53-3 molecular structure
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trisodium [5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (phosphonatooxy)phosphonate

ChemBase ID: 102336
Molecular Formular: C9H11N2Na3O12P2
Molecular Mass: 470.106672
Monoisotopic Mass: 469.94802991
SMILES and InChIs

SMILES:
[Na+].[Na+].[Na+].OC1C(O)C(OC1COP(=O)([O-])OP(=O)([O-])[O-])n1ccc(=O)[nH]c1=O
Canonical SMILES:
OC1C(COP(=O)(OP(=O)([O-])[O-])[O-])OC(C1O)n1ccc(=O)[nH]c1=O.[Na+].[Na+].[Na+]
InChI:
InChI=1S/C9H14N2O12P2.3Na/c12-5-1-2-11(9(15)10-5)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)(H,10,12,15)(H2,16,17,18);;;/q;3*+1/p-3
InChIKey:
GFASEGWJDXDCKZ-UHFFFAOYSA-K

Cite this record

CBID:102336 http://www.chembase.cn/molecule-102336.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trisodium [5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (phosphonatooxy)phosphonate
IUPAC Traditional name
tripotassium [5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonatooxyphosphonate
Synonyms
UDP
URIDINE-5'-DIPHOSPHATE DISODIUM SALT
CAS Number
21931-53-3
PubChem SID
162088089
PubChem CID
23496483

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02101205 external link Add to cart Please log in.
Data Source Data ID
PubChem 23496483 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.7717429  H Acceptors 10 
H Donor LogD (pH = 5.5) -7.37538 
LogD (pH = 7.4) -8.00681  Log P -2.9606066 
Molar Refractivity 70.9463 cm3 Polarizability 29.952633 Å3
Polar Surface Area 220.88 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
MSDS Link
Download expand Show data source
Purity
≥90% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02101205 external link
White crystalline powder
Sodium Salt
Purity: >90% by HPLC
One of our competitors claims a purity of 95-100%. We find this range too large due to possible contamination with 5´-UMP. We have set 98% purity as a minimum standard for UDP.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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