Home > Compound List > Compound details
14270-73-6 molecular structure
click picture or here to close

1-[(2R,4S,5R)-4-hydroxy-5-[(triphenylmethoxy)methyl]oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

ChemBase ID: 291188
Molecular Formular: C28H26N2O5
Molecular Mass: 470.51644
Monoisotopic Mass: 470.18417194
SMILES and InChIs

SMILES:
O[C@H]1C[C@H](n2c(=O)[nH]c(=O)cc2)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
Canonical SMILES:
O[C@H]1C[C@@H](O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ccc(=O)[nH]c1=O
InChI:
InChI=1S/C28H26N2O5/c31-23-18-26(30-17-16-25(32)29-27(30)33)35-24(23)19-34-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,31H,18-19H2,(H,29,32,33)/t23-,24+,26+/m0/s1
InChIKey:
JJJNFNLUKYZAKI-BFLUCZKCSA-N

Cite this record

CBID:291188 http://www.chembase.cn/molecule-291188.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(2R,4S,5R)-4-hydroxy-5-[(triphenylmethoxy)methyl]oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
IUPAC Traditional name
1-[(2R,4S,5R)-4-hydroxy-5-[(triphenylmethoxy)methyl]oxolan-2-yl]-3H-pyrimidine-2,4-dione
Synonyms
5'-O-Trityl-2'-deoxyuridine
CAS Number
14270-73-6
MDL Number
MFCD11113892
PubChem SID
180676719
PubChem CID
13711960

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD230878 Please log in.
Data Source Data ID
PubChem 13711960 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.705735  H Acceptors
H Donor LogD (pH = 5.5) 4.285451 
LogD (pH = 7.4) 4.283359  Log P 4.2854776 
Molar Refractivity 130.8563 cm3 Polarizability 50.63691 Å3
Polar Surface Area 88.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle