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: 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

NAMES AND DATABASE IDS

Names

• 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

Database IDs

• CAS Number: 50-89-5
• EC Number: 200-070-4
• MDL Number: MFCD00006537
• Beilstein Number: 89285
• PubChem SID: 24900588; 162035620; 24899996
• PubChem CID: 5789

CALCULATED PROPERTIES

• Acid pKa: 9.960277
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.1190685
• LogD (pH = 7.4): -1.1202337
• Log P: -1.1190536
• Molar Refractivity: 55.412 cm^3
• Polarizability: 22.001661 Å^3
• Polar Surface Area: 99.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder; Powder
• Melting Point: 186-188 °C(lit.)
• Optical Rotation: [α]25/D +18.5°, c = 1 in H2O

Safety Information

• Storage Warning: IRRITANT
• RTECS: XP2071000
• German water hazard class: 3
• TSCA Listed: false
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Pharmacology Properties

• Gene Information: human ... DTYMK(1841)

Product Information

• Purity: ≥99%; 95+%
• Suitability: suitable for cell culture
• Product Line: BioReagent
• Empirical Formula (Hill Notation): C10H14N2O5

DETAILS

Sigma Aldrich - T9250

Packaging
1, 5, 10, 25 g in poly bottle

Sigma Aldrich - T1895

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.