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50-89-5 molecular structure
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1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

ChemBase ID: 69895
Molecular Formular: C10H14N2O5
Molecular Mass: 242.22856
Monoisotopic Mass: 242.09027156
SMILES and InChIs

SMILES:
c1(=O)[nH]c(=O)c(cn1[C@@H]1O[C@@H]([C@H](C1)O)CO)C
Canonical SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
InChI:
InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
InChIKey:
IQFYYKKMVGJFEH-XLPZGREQSA-N

Cite this record

CBID:69895 http://www.chembase.cn/molecule-69895.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
IUPAC Traditional name
thymidine
Synonyms
1-(2-Deoxy-β-D-ribofuranosyl)-5-methyluracil
1-(2-Deoxy-β-D-ribofuranosyl)thymine
2′-Deoxythymidine
Thymine deoxyriboside
Thymidine
dT
1-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydro-furan-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
1-(2-脱氧-β-D-呋喃核糖)-5-甲基尿嘧啶
1-(2-脱氧-β-D-呋喃核糖)胸苷
2′-脱氧胸苷
胸腺嘧啶核苷
胸苷
CAS Number
50-89-5
EC Number
200-070-4
MDL Number
MFCD00006537
Beilstein Number
89285
PubChem SID
162035620
24900588
24899996
PubChem CID
5789

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.960277  H Acceptors
H Donor LogD (pH = 5.5) -1.1190685 
LogD (pH = 7.4) -1.1202337  Log P -1.1190536 
Molar Refractivity 55.412 cm3 Polarizability 22.001661 Å3
Polar Surface Area 99.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Apperance
powder expand Show data source
Powder expand Show data source
Melting Point
186-188 °C(lit.) expand Show data source
Optical Rotation
[α]25/D +18.5°, c = 1 in H2O expand Show data source
Storage Warning
IRRITANT expand Show data source
RTECS
XP2071000 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
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
Gene Information
human ... DTYMK(1841) expand Show data source
Purity
≥99% expand Show data source
95+% expand Show data source
Suitability
suitable for cell culture expand Show data source
Product Line
BioReagent expand Show data source
Empirical Formula (Hill Notation)
C10H14N2O5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - T9250 external link
Packaging
1, 5, 10, 25 g in poly bottle
Sigma Aldrich - T1895 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
Use in HT and HAT cocktails for hybridoma fusion, selection and cloning.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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