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56632-58-7 molecular structure
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sodium 6-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-7-hydroxy-2-oxo-hexahydro-1,3,5,2λ5-furo[3,2-d][1,3,2λ5]dioxaphosphinin-2-olate

ChemBase ID: 131781
Molecular Formular: C9H10N2NaO8P
Molecular Mass: 328.147831
Monoisotopic Mass: 328.0072462
SMILES and InChIs

SMILES:
c1cn(c(=O)[nH]c1=O)C1C(C2C(O1)COP(=O)(O2)[O-])O.[Na+]
Canonical SMILES:
OC1C2OP(=O)([O-])OCC2OC1n1ccc(=O)[nH]c1=O.[Na+]
InChI:
InChI=1S/C9H11N2O8P.Na/c12-5-1-2-11(9(14)10-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7;/h1-2,4,6-8,13H,3H2,(H,15,16)(H,10,12,14);/q;+1/p-1
InChIKey:
APYWIKXPIFYSBG-UHFFFAOYSA-M

Cite this record

CBID:131781 http://www.chembase.cn/molecule-131781.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium 6-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-7-hydroxy-2-oxo-hexahydro-1,3,5,2λ5-furo[3,2-d][1,3,2λ5]dioxaphosphinin-2-olate
IUPAC Traditional name
sodium 6-(2,4-dioxo-3H-pyrimidin-1-yl)-7-hydroxy-2-oxo-tetrahydro-4H-1,3,5,2λ5-furo[3,2-d][1,3,2λ5]dioxaphosphinin-2-olate
Synonyms
Uridine 3′:5′-cyclic monophosphate sodium salt
CAS Number
56632-58-7
EC Number
260-295-9
MDL Number
MFCD00134914
PubChem SID
162226058
24900635
PubChem CID
71308472

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
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Data Source Data ID
PubChem 71308472 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.832829  H Acceptors
H Donor LogD (pH = 5.5) -3.9971063 
LogD (pH = 7.4) -4.020532  Log P -1.6422703 
Molar Refractivity 58.5378 cm3 Polarizability 24.200571 Å3
Polar Surface Area 137.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

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
~98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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