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(2R,3R,4R,5S)-4-[(2,4-dichlorophenyl)methoxy]-2-{[(2,4-dichlorophenyl)methoxy]methyl}-5-methoxyoxolan-3-ol
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ChemBase ID:
173393
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Molecular Formular:
C20H20Cl4O5
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Molecular Mass:
482.1818
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Monoisotopic Mass:
480.00648446
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SMILES and InChIs
SMILES:
[C@H]1([C@@H]([C@H](O[C@@H]1OC)COCc1ccc(cc1Cl)Cl)O)OCc1ccc(cc1Cl)Cl
Canonical SMILES:
CO[C@H]1O[C@@H]([C@H]([C@H]1OCc1ccc(cc1Cl)Cl)O)COCc1ccc(cc1Cl)Cl
InChI:
InChI=1S/C20H20Cl4O5/c1-26-20-19(28-9-12-3-5-14(22)7-16(12)24)18(25)17(29-20)10-27-8-11-2-4-13(21)6-15(11)23/h2-7,17-20,25H,8-10H2,1H3/t17-,18-,19-,20+/m1/s1
InChIKey:
DCSASUHYUNVYBF-WTGUMLROSA-N
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Cite this record
CBID:173393 http://www.chembase.cn/molecule-173393.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2R,3R,4R,5S)-4-[(2,4-dichlorophenyl)methoxy]-2-{[(2,4-dichlorophenyl)methoxy]methyl}-5-methoxyoxolan-3-ol
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IUPAC Traditional name
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(2R,3R,4R,5S)-4-[(2,4-dichlorophenyl)methoxy]-2-{[(2,4-dichlorophenyl)methoxy]methyl}-5-methoxyoxolan-3-ol
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Synonyms
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Methyl 3,5-Bis-O-[(2,4-dichlorophenyl)methyl]-α-D-ribofuranoside
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1-O-Methyl 3,5-Bis-O-(2,4-dichlorobenzyl)-α-D-ribofuranoside
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Methyl 3,5-Bis-O-(2,4-dichlorobenzyl)-α-D-ribofuranoside
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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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12.976063
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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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5.4923
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LogD (pH = 7.4)
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5.492299
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Log P
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5.4923
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Molar Refractivity
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112.6589 cm3
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Polarizability
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44.975784 Å3
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Polar Surface Area
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57.15 Å2
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Rotatable Bonds
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8
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Lipinski's Rule of Five
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false
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PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
DETAILS
DETAILS
TRC
Toronto Research Chemicals -
M294150
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An intermediate in the synthesis of nucleoside compounds and derivatives suitable for use in treating or prophylaxis of an infection by the SARS virus and/or in treating or prophylaxis of SARS, and for use in inhibiting replication of the SARS virus. |
PATENTS
PATENTS
PubChem Patent
Google Patent