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1-[(2R,3S,5S)-3-[(tert-butyldimethylsilyl)oxy]-5-[(triphenylmethoxy)methyl]oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
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ChemBase ID:
163337
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Molecular Formular:
C34H40N2O5Si
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Molecular Mass:
584.7773
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Monoisotopic Mass:
584.27064892
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SMILES and InChIs
SMILES:
[C@@H]1(C[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COC(c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](C)(C(C)(C)C)C
Canonical SMILES:
O=c1ccn(c(=O)[nH]1)[C@@H]1O[C@@H](C[C@@H]1O[Si](C(C)(C)C)(C)C)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C34H40N2O5Si/c1-33(2,3)42(4,5)41-29-23-28(40-31(29)36-22-21-30(37)35-32(36)38)24-39-34(25-15-9-6-10-16-25,26-17-11-7-12-18-26)27-19-13-8-14-20-27/h6-22,28-29,31H,23-24H2,1-5H3,(H,35,37,38)/t28-,29-,31+/m0/s1
InChIKey:
BEBBEBKQPQRPHS-GSBZAIBZSA-N
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Cite this record
CBID:163337 http://www.chembase.cn/molecule-163337.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-[(2R,3S,5S)-3-[(tert-butyldimethylsilyl)oxy]-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,3S,5S)-3-[(tert-butyldimethylsilyl)oxy]-5-[(triphenylmethoxy)methyl]oxolan-2-yl]-3H-pyrimidine-2,4-dione
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Synonyms
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3'-Deoxy-2'-O-[(1,1-dimethylethyl)dimethylsilyl]-5'-O-(triphenylmethyl)uridine
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2'-O-(tert-Butyldimethylsilyl)-3'-deoxy-5'-O-trityluridine
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CAS 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
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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9.701565
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H Acceptors
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5
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H Donor
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1
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LogD (pH = 5.5)
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7.111773
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LogD (pH = 7.4)
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7.109652
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Log P
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7.1118
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Molar Refractivity
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161.118 cm3
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Polarizability
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64.690735 Å3
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Polar Surface Area
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77.1 Å2
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Rotatable Bonds
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10
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Lipinski's Rule of Five
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false
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DETAILS
DETAILS
TRC
PATENTS
PATENTS
PubChem Patent
Google Patent