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18465-71-9 molecular structure
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(3R,4R)-3,4-dihydroxy-3-methyloxolan-2-one

ChemBase ID: 305922
Molecular Formular: C5H8O4
Molecular Mass: 132.11462
Monoisotopic Mass: 132.04225874
SMILES and InChIs

SMILES:
C1[C@H]([C@@](C(=O)O1)(C)O)O
Canonical SMILES:
C[C@@]1(O)[C@H](O)COC1=O
InChI:
InChI=1S/C5H8O4/c1-5(8)3(6)2-9-4(5)7/h3,6,8H,2H2,1H3/t3-,5-/m1/s1
InChIKey:
OHTGZAWPVDWARE-NQXXGFSBSA-N

Cite this record

CBID:305922 http://www.chembase.cn/molecule-305922.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R,4R)-3,4-dihydroxy-3-methyloxolan-2-one
IUPAC Traditional name
(3R,4R)-3,4-dihydroxy-3-methyloxolan-2-one
Synonyms
2-C-Methyl-D-erythrono-1,4-lactone
CAS Number
18465-71-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP02574
Data Source Data ID Price
BioBioPha
BBP02574 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.572919  H Acceptors
H Donor LogD (pH = 5.5) -1.0518378 
LogD (pH = 7.4) -1.0518665  Log P -1.0518374 
Molar Refractivity 27.5671 cm3 Polarizability 11.39605 Å3
Polar Surface Area 66.76 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Oil expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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