Home > Compound List > Compound details
551-84-8 molecular structure
click picture or here to close

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

ChemBase ID: 156181
Molecular Formular: C5H10O5
Molecular Mass: 150.1299
Monoisotopic Mass: 150.05282342
SMILES and InChIs

SMILES:
C1[C@@H]([C@H](C(O1)(CO)O)O)O
Canonical SMILES:
OCC1(O)OC[C@@H]([C@H]1O)O
InChI:
InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4+,5?/m0/s1
InChIKey:
LQXVFWRQNMEDEE-PYHARJCCSA-N

Cite this record

CBID:156181 http://www.chembase.cn/molecule-156181.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R,4S)-2-(hydroxymethyl)oxolane-2,3,4-triol
IUPAC Traditional name
L-threo-pentulose
Synonyms
D-threo-Pentulose
D-Xylulose
CAS Number
551-84-8
MDL Number
MFCD00065958
Beilstein Number
1723052
PubChem SID
162250319
PubChem CID
439205

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
95744 external link Add to cart Please log in.
Data Source Data ID
PubChem 439205 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.29264  H Acceptors
H Donor LogD (pH = 5.5) -2.1276715 
LogD (pH = 7.4) -2.1282196  Log P -2.1276643 
Molar Refractivity 30.3983 cm3 Polarizability 12.6405 Å3
Polar Surface Area 90.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥97.0% (TLC) expand Show data source
Empirical Formula (Hill Notation)
C5H10O5 expand Show data source

DETAILS

DETAILS

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