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6038-59-1 molecular structure
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1-[3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

ChemBase ID: 133137
Molecular Formular: C10H14N2O6
Molecular Mass: 258.22796
Monoisotopic Mass: 258.08518618
SMILES and InChIs

SMILES:
COC1C(OC(C1O)n1ccc(=O)[nH]c1=O)CO
Canonical SMILES:
COC1C(CO)OC(C1O)n1ccc(=O)[nH]c1=O
InChI:
InChI=1S/C10H14N2O6/c1-17-8-5(4-13)18-9(7(8)15)12-3-2-6(14)11-10(12)16/h2-3,5,7-9,13,15H,4H2,1H3,(H,11,14,16)
InChIKey:
YKNATSNMFLEFRB-UHFFFAOYSA-N

Cite this record

CBID:133137 http://www.chembase.cn/molecule-133137.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
IUPAC Traditional name
1-[3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-3H-pyrimidine-2,4-dione
Synonyms
3′-O-Methyluridine
CAS Number
6038-59-1
MDL Number
MFCD00057380
PubChem SID
162227414
24896811
PubChem CID
560146

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
M4262 external link Add to cart Please log in.
Data Source Data ID
PubChem 560146 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.700939  H Acceptors
H Donor LogD (pH = 5.5) -1.7721426 
LogD (pH = 7.4) -1.7742574  Log P -1.7721156 
Molar Refractivity 57.3168 cm3 Polarizability 22.769852 Å3
Polar Surface Area 108.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety 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

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - M4262 external link
Application
3′-O-Methyluridine may be used in comparative studies on the methylation of 2′ and 3′ hydroxyl groups of uridines in plant microRNAs.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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