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102814-08-4 molecular structure
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({[({[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid sodium

ChemBase ID: 133291
Molecular Formular: C9H15N2NaO14P3
Molecular Mass: 491.131453
Monoisotopic Mass: 490.96338234
SMILES and InChIs

SMILES:
c1cn(c(=O)[nH]c1=O)C1CC(C(O1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O.[Na]
Canonical SMILES:
OC1CC(OC1COP(=O)(OP(=O)(OP(=O)(O)O)O)O)n1ccc(=O)[nH]c1=O.[Na]
InChI:
InChI=1S/C9H15N2O14P3.Na/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17;/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17);
InChIKey:
ISKGXNFLJOMAKE-UHFFFAOYSA-N

Cite this record

CBID:133291 http://www.chembase.cn/molecule-133291.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
({[({[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid sodium
IUPAC Traditional name
deoxyuridine-5'-triphosphate sodium
Synonyms
2′-Deoxyuridine 5′-triphosphate sodium salt solution
2′-Deoxyuridine 5′-triphosphate sodium salt
dUTP 钠盐
2′-脱氧尿苷 5′-三磷酸 钠盐 溶液
2′-脱氧尿苷 5′-三磷酸 钠盐
CAS Number
102814-08-4
94736-09-1
MDL Number
MFCD01630759
MFCD00084701
PubChem SID
24893804
24893218
162227568
PubChem CID
16219193

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16219193 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 0.89528304  H Acceptors 11 
H Donor LogD (pH = 5.5) -9.158568 
LogD (pH = 7.4) -9.894156  Log P -2.4817672 
Molar Refractivity 83.6736 cm3 Polarizability 34.385967 Å3
Polar Surface Area 238.69 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
German water hazard class
1 expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
~95% expand Show data source
≥99% expand Show data source
Concentration
100 mM in H2O expand Show data source
Foreign Activity
DNase, RNase, none detected expand Show data source
Shipped in
dry ice expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - D4001 external link
Application
2′-Deoxyuridine 5′-triphosphate (dUTP) may be used to study the distribution, specificity and kinetics of deoxyuridine 5′-triphosphate nucleotidohydrolase(s) (dUTPase, EC 3.6.1.23). dUTPase are important enzymes that protect cells from the incorporation of dUTP into DNA.dUTP is a component of the TUNEL (terminal deoxyribonucleotidyl-transferase-(TdT)-mediated deoxyuridine-5′-triphosphate- (dUTP) nick-end labeling) test. TUNEL is a common method for detecting DNA fragmentation that results from apoptotic signaling cascades.
Sigma Aldrich - D0184 external link
Application
在 PCR 中与尿嘧啶 DNA 糖基化酶联用以防遗留污染。在 PCR 反应中,用 dUTP 代替 dTTP。

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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