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6605-29-4 molecular structure
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[(2R,3R,6S)-3-(acetyloxy)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate

ChemBase ID: 173531
Molecular Formular: C11H16O6
Molecular Mass: 244.24114
Monoisotopic Mass: 244.09468823
SMILES and InChIs

SMILES:
[C@H]1(C=C[C@H](O[C@H]1COC(=O)C)OC)OC(=O)C
Canonical SMILES:
CO[C@@H]1C=C[C@H]([C@@H](O1)COC(=O)C)OC(=O)C
InChI:
InChI=1S/C11H16O6/c1-7(12)15-6-10-9(16-8(2)13)4-5-11(14-3)17-10/h4-5,9-11H,6H2,1-3H3/t9-,10-,11+/m1/s1
InChIKey:
VSLFAGQONKVTAA-MXWKQRLJSA-N

Cite this record

CBID:173531 http://www.chembase.cn/molecule-173531.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2R,3R,6S)-3-(acetyloxy)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
IUPAC Traditional name
[(2R,3R,6S)-3-(acetyloxy)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
Synonyms
Methyl 2,3-Dideoxy-α-D-threo-hex-2-enopyranoside Diacetate
Methyl 4,6-Di-O-acetyl-2,3-dideoxy-α-D-threo-hex-2-enopyranoside
CAS Number
6605-29-4
PubChem SID
164229441
PubChem CID
12775337

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M298300 external link Add to cart
PubChem 12775337 external link
Data Source Data ID Price
TRC
M298300 external link Add to cart Please log in.
Data Source Data ID
PubChem 12775337 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.38072366  LogD (pH = 7.4) 0.38072366 
Log P 0.38072366  Molar Refractivity 57.3712 cm3
Polarizability 23.076708 Å3 Polar Surface Area 71.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
59°C expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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