-
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
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
|
|
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
|
|
EC Number
|
|
MDL Number
|
|
Beilstein Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
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 cm3
|
Polarizability
|
22.001661 Å3
|
Polar Surface Area
|
99.1 Å2
|
Rotatable Bonds
|
2
|
Lipinski's Rule of Five
|
true
|
DETAILS
DETAILS
Sigma Aldrich
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. |
PATENTS
PATENTS
PubChem Patent
Google Patent