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(3aS,6R)-6-(hydroxymethyl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-ol
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ChemBase ID:
171899
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Molecular Formular:
C8H14O5
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Molecular Mass:
190.19376
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Monoisotopic Mass:
190.08412355
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SMILES and InChIs
SMILES:
[C@H]12C([C@H](OC1O)CO)OC(O2)(C)C
Canonical SMILES:
OC[C@H]1OC([C@@H]2C1OC(O2)(C)C)O
InChI:
InChI=1S/C8H14O5/c1-8(2)12-5-4(3-9)11-7(10)6(5)13-8/h4-7,9-10H,3H2,1-2H3/t4-,5?,6+,7?/m1/s1
InChIKey:
OYYTWUSIDMJZCP-JEUXIKPASA-N
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Cite this record
CBID:171899 http://www.chembase.cn/molecule-171899.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(3aS,6R)-6-(hydroxymethyl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-ol
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IUPAC Traditional name
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(3aS,6R)-6-(hydroxymethyl)-2,2-dimethyl-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
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Synonyms
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2,3-O-(1-Methylethylidene)-D-ribose
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2,3-O-Isopropylidene-D-ribose
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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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11.337069
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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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-0.5997803
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LogD (pH = 7.4)
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-0.5998298
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Log P
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-0.59977967
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Molar Refractivity
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42.1679 cm3
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Polarizability
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17.489017 Å3
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Polar Surface Area
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68.15 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
Physical Property
Safety Information
Product Information
Bioassay(PubChem)
Solubility
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Acetone
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Show
data source
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Apperance
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Pale Yellow Oily Liquid
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent