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162254829 molecular structure
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(3S,4S)-(2,2,5,5-2H4)oxolane-3,4-diol

ChemBase ID: 160694
Molecular Formular: C4H8O3
Molecular Mass: 104.10452
Monoisotopic Mass: 104.04734412
SMILES and InChIs

SMILES:
[C@H]1([C@H](COC1)O)O
Canonical SMILES:
O[C@H]1COC[C@@H]1O
InChI:
InChI=1S/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1
InChIKey:
SSYDTHANSGMJTP-IMJSIDKUSA-N

Cite this record

CBID:160694 http://www.chembase.cn/molecule-160694.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3S,4S)-(2,2,5,5-2H4)oxolane-3,4-diol
IUPAC Traditional name
(3S,4S)-(2,2,5,5-2H4)oxolane-3,4-diol
Synonyms
(3S,4S)-Tetrahydro-3,4-furandiol-d4
(3S-trans)-Tetrahydro-3,4-furandiol
-d3 (S,S)-Tetrahydrofuran-3,4-diol-d4
1,4-Anhydro-L-threitol-d4
PubChem SID
162254829
PubChem CID
71313435

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC A656402 external link Add to cart
PubChem 71313435 external link
Data Source Data ID Price
TRC
A656402 external link Add to cart Please log in.
Data Source Data ID
PubChem 71313435 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.0593405  H Acceptors
H Donor LogD (pH = 5.5) -1.3076454 
LogD (pH = 7.4) -1.3076464  Log P -1.3076454 
Molar Refractivity 22.9685 cm3 Polarizability 9.41032 Å3
Polar Surface Area 49.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A656402 external link
Labelled analogue of 1,4-Anhydro-L-threitol, a tetrahydrofuran derivative used in the preparation of hyperbranched carbohydrate polymers via ring-opening reaction.

REFERENCES

REFERENCES

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  • • Imai, T. et al.: Macromolecules, 37, 3113 (2004)
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PATENTS

PATENTS

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INTERNET

INTERNET

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