Home > Compound List > Compound details
583-50-6 molecular structure
click picture or here to close

(3R,4R)-oxolane-2,3,4-triol

ChemBase ID: 107437
Molecular Formular: C4H8O4
Molecular Mass: 120.10392
Monoisotopic Mass: 120.04225874
SMILES and InChIs

SMILES:
O[C@@H]1COC(O)[C@@H]1O
Canonical SMILES:
O[C@@H]1[C@H](O)COC1O
InChI:
InChI=1S/C4H8O4/c5-2-1-8-4(7)3(2)6/h2-7H,1H2/t2-,3-,4?/m1/s1
InChIKey:
FMAORJIQYMIRHF-HERZVMAMSA-N

Cite this record

CBID:107437 http://www.chembase.cn/molecule-107437.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R,4R)-oxolane-2,3,4-triol
IUPAC Traditional name
erythrose (substance)
Synonyms
D-ERYTHROSE
CAS Number
583-50-6
PubChem SID
162094562
PubChem CID
439574

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05203731 external link Add to cart Please log in.
Data Source Data ID
PubChem 439574 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.32051  H Acceptors
H Donor LogD (pH = 5.5) -1.67187 
LogD (pH = 7.4) -1.6719214  Log P -1.6718693 
Molar Refractivity 23.9984 cm3 Polarizability 10.125124 Å3
Polar Surface Area 69.92 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05203731 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle