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(2R,3S,4R,5R)-2-methoxyoxane-3,4,5-triol
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ChemBase ID:
105543
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Molecular Formular:
C6H12O5
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Molecular Mass:
164.15648
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Monoisotopic Mass:
164.06847348
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SMILES and InChIs
SMILES:
O[C@H]1[C@H](O)[C@H](O)CO[C@H]1OC
Canonical SMILES:
CO[C@@H]1OC[C@H]([C@H]([C@@H]1O)O)O
InChI:
InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4-,5+,6-/m1/s1
InChIKey:
ZBDGHWFPLXXWRD-ARQDHWQXSA-N
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Cite this record
CBID:105543 http://www.chembase.cn/molecule-105543.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2R,3S,4R,5R)-2-methoxyoxane-3,4,5-triol
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IUPAC Traditional name
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(2R,3S,4R,5R)-2-methoxyoxane-3,4,5-triol
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Synonyms
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METHYL-β-D-ARABINO-PYRANOSIDE
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CAS Number
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EC 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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12.24718
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H Acceptors
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5
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H Donor
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3
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LogD (pH = 5.5)
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-1.6590779
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LogD (pH = 7.4)
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-1.659084
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Log P
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-1.6590778
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Molar Refractivity
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34.712097 cm3
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Polarizability
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14.50232 Å3
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Polar Surface Area
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79.15 Å2
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Rotatable Bonds
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1
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
Storage Condition
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Room Temperature (15-30°C)
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Show
data source
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MSDS Link
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PATENTS
PATENTS
PubChem Patent
Google Patent