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1-[(2R,4S,5R)-4-hydroxy-5-[(triphenylmethoxy)methyl]oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
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ChemBase ID:
291188
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Molecular Formular:
C28H26N2O5
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Molecular Mass:
470.51644
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Monoisotopic Mass:
470.18417194
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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
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Cite this record
CBID:291188 http://www.chembase.cn/molecule-291188.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-[(2R,4S,5R)-4-hydroxy-5-[(triphenylmethoxy)methyl]oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
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IUPAC Traditional name
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1-[(2R,4S,5R)-4-hydroxy-5-[(triphenylmethoxy)methyl]oxolan-2-yl]-3H-pyrimidine-2,4-dione
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Synonyms
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5'-O-Trityl-2'-deoxyuridine
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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9.705735
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H Acceptors
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5
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H Donor
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2
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LogD (pH = 5.5)
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4.285451
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LogD (pH = 7.4)
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4.283359
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Log P
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4.2854776
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Molar Refractivity
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130.8563 cm3
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Polarizability
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50.63691 Å3
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Polar Surface Area
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88.1 Å2
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Rotatable Bonds
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7
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Product Information
Bioassay(PubChem)
Purity
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95+%
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent