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252873-00-0 molecular structure
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(3R,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol

ChemBase ID: 169919
Molecular Formular: C6H10O3
Molecular Mass: 130.1418
Monoisotopic Mass: 130.06299418
SMILES and InChIs

SMILES:
[C@@H]12[C@@H]([C@H](CO1)O)CCO2
Canonical SMILES:
O[C@H]1CO[C@H]2[C@@H]1CCO2
InChI:
InChI=1S/C6H10O3/c7-5-3-9-6-4(5)1-2-8-6/h4-7H,1-3H2/t4-,5+,6+/m1/s1
InChIKey:
RCDXYCHYMULCDZ-SRQIZXRXSA-N

Cite this record

CBID:169919 http://www.chembase.cn/molecule-169919.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol
IUPAC Traditional name
(3R,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol
Synonyms
(3R,3aR,6aS)-Hexahydrofuro[2,3-b]furan-3-ol
CAS Number
252873-00-0
PubChem SID
162264051
PubChem CID
11819104

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC H293985 external link Add to cart
PubChem 11819104 external link
Data Source Data ID Price
TRC
H293985 external link Add to cart Please log in.
Data Source Data ID
PubChem 11819104 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.000419  H Acceptors
H Donor LogD (pH = 5.5) -0.22748579 
LogD (pH = 7.4) -0.2274859  Log P -0.22748578 
Molar Refractivity 30.1305 cm3 Polarizability 12.405186 Å3
Polar Surface Area 38.69 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 - H293985 external link
An intermediate in the preparation of HIV-1 Protease Inhibitor. An isomeric impurity of Bisfuranol.

REFERENCES

REFERENCES

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  • • Surleraux, D.L. et al.: 48, 1813 (2005)
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PATENTS

PATENTS

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INTERNET

INTERNET

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