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359437-00-6 molecular structure
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(2R,4aR,6S,7S,8S,8aR)-6-methoxy-2-phenyl-7,8-bis(prop-2-en-1-yloxy)-hexahydro-2H-pyrano[3,2-d][1,3]dioxine

ChemBase ID: 173535
Molecular Formular: C20H26O6
Molecular Mass: 362.41684
Monoisotopic Mass: 362.17293855
SMILES and InChIs

SMILES:
[C@H]12[C@@H]([C@@H]([C@H](O[C@@H]1CO[C@H](O2)c1ccccc1)OC)OCC=C)OCC=C
Canonical SMILES:
C=CCO[C@H]1[C@@H]2O[C@@H](OC[C@H]2O[C@@H]([C@H]1OCC=C)OC)c1ccccc1
InChI:
InChI=1S/C20H26O6/c1-4-11-22-17-16-15(25-20(21-3)18(17)23-12-5-2)13-24-19(26-16)14-9-7-6-8-10-14/h4-10,15-20H,1-2,11-13H2,3H3/t15-,16-,17+,18+,19-,20+/m1/s1
InChIKey:
FMKYMGOFTWEBLP-JWLCQNFESA-N

Cite this record

CBID:173535 http://www.chembase.cn/molecule-173535.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,4aR,6S,7S,8S,8aR)-6-methoxy-2-phenyl-7,8-bis(prop-2-en-1-yloxy)-hexahydro-2H-pyrano[3,2-d][1,3]dioxine
IUPAC Traditional name
(2R,4aR,6S,7S,8S,8aR)-6-methoxy-2-phenyl-7,8-bis(prop-2-en-1-yloxy)-hexahydro-2H-pyrano[3,2-d][1,3]dioxine
Synonyms
Methyl 4,6-O-(Phenylmethylene)-2,3-di-O-2-propenyl-α-D-mannopyranoside
Methyl 2,3-Di-O-allyl-4,6-O-benzylidene-α-D-mannopyranoside
CAS Number
359437-00-6
PubChem SID
164229445
PubChem CID
71750289

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M299200 external link Add to cart
PubChem 71750289 external link
Data Source Data ID Price
TRC
M299200 external link Add to cart Please log in.
Data Source Data ID
PubChem 71750289 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6244192  LogD (pH = 7.4) 3.6244192 
Log P 3.6244192  Molar Refractivity 95.386 cm3
Polarizability 38.332825 Å3 Polar Surface Area 55.38 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Clear Oil with Greenish Tinge expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M299200 external link
Methyl 2,3-Di-O-allyl-4,6-O-benzylidene-α-D-mannopyranoside is used in the synthesis of manno crown ethers.

REFERENCES

REFERENCES

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  • • Pettman, R.B., et al.: Tetrahedr. Lett., 5, 461 (1979)
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PATENTS

PATENTS

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INTERNET

INTERNET

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