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58-96-8 molecular structure
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1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

ChemBase ID: 69886
Molecular Formular: C9H12N2O6
Molecular Mass: 244.20138
Monoisotopic Mass: 244.06953611
SMILES and InChIs

SMILES:
OC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)n1c(=O)[nH]c(=O)cc1
Canonical SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(=O)[nH]c1=O
InChI:
InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
InChIKey:
DRTQHJPVMGBUCF-XVFCMESISA-N

Cite this record

CBID:69886 http://www.chembase.cn/molecule-69886.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
IUPAC Traditional name
uridine
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Synonyms
1-β-D-Ribofuranosyluracil
Uracil-1-β-D-ribofuranoside
Uridine
5′-Deoxyuridine
Uridine
Arabinosyl-Uracil
1-β-D-Arabinofuranosyluracil
URACIL-β-D-ARABINOFURANOSIDE
uridine
尿苷
尿嘧啶-1-β-D-呋喃核糖苷
尿嘧啶核苷
5′-脱氧尿苷
CAS Number
58-96-8
15958-99-3
EC Number
221-386-9
200-407-5
MDL Number
MFCD00006526
Beilstein Number
754902
PubChem SID
162035611
24900640
24900638
24900434
PubChem CID
6029
CHEMBL
100259
DrugBank ID
DB02745
MeSH Name
Uridine
Unique Ingredient Identifier
WHI7HQ7H85
Wikipedia Title
Uridine

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.700741  H Acceptors
H Donor LogD (pH = 5.5) -2.4152691 
LogD (pH = 7.4) -2.4173849  Log P -2.4152422 
Molar Refractivity 52.5656 cm3 Polarizability 20.901344 Å3
Polar Surface Area 119.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
H2O: soluble0.1 M, clear, colorless expand Show data source
H2O: soluble50 mg/mL expand Show data source
Apperance
powder expand Show data source
Powder expand Show data source
Melting Point
163-167 °C expand Show data source
163-167 °C(lit.) expand Show data source
Optical Rotation
[α]20/D +9.5±1°, c = 2% in H2O expand Show data source
Storage Condition
0°C expand Show data source
-20°C expand Show data source
Storage Warning
IRRITANT expand Show data source
RTECS
YQ8818000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
false expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Target
DNA expand Show data source
RNA Synthesis expand Show data source
Gene Information
mouse ... Uck1(22245) expand Show data source
Mechanism of Action
Antimetabolite expand Show data source
Purity
≥99% expand Show data source
≥99.0% (HPLC) expand Show data source
95+% expand Show data source
99% expand Show data source
Salt Data
Free Base expand Show data source
Certificate of Analysis
Download expand Show data source
Suitability
suitable for cell culture expand Show data source
Ignition Residue
≤0.1% expand Show data source
Impurities
≤0.005% Phosphorus (P) expand Show data source
≤0.1% Insoluble matter expand Show data source
Cation Traces
Al: ≤0.0005% expand Show data source
Ca: ≤0.01% expand Show data source
Cu: ≤0.0005% expand Show data source
Fe: ≤0.003% expand Show data source
K: ≤0.005% expand Show data source
Mg: ≤0.003% expand Show data source
Na: ≤0.02% expand Show data source
NH4+: ≤0.05% expand Show data source
Pb: ≤0.001% expand Show data source
Zn: ≤0.0005% expand Show data source
Antion Traces
sulfate (SO42-): ≤0.05% expand Show data source
Biological Source
Widely distributed in nature expand Show data source
Application(s)
Virucide expand Show data source
Quality
crystallized expand Show data source
Product Line
BioReagent expand Show data source
BioUltra expand Show data source
Empirical Formula (Hill Notation)
C9H12N2O5 expand Show data source
C9H12N2O6 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Selleck Chemicals Selleck Chemicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Selleck Chemicals - S202 external link
Research Area: DNA/RNA
Biological Activity:
Sigma Aldrich - U3750 external link
Packaging
1, 25, 100 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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