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5019-25-0 molecular structure
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[(2R,3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-methoxyoxan-2-yl]methyl acetate

ChemBase ID: 174327
Molecular Formular: C15H22O10
Molecular Mass: 362.32918
Monoisotopic Mass: 362.1212969
SMILES and InChIs

SMILES:
[C@@H]1([C@@H]([C@@H]([C@@H](O[C@H]1COC(=O)C)OC)OC(=O)C)OC(=O)C)OC(=O)C
Canonical SMILES:
CO[C@@H]1O[C@@H](COC(=O)C)[C@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
InChI:
InChI=1S/C15H22O10/c1-7(16)21-6-11-12(22-8(2)17)13(23-9(3)18)14(24-10(4)19)15(20-5)25-11/h11-15H,6H2,1-5H3/t11-,12-,13+,14+,15-/m1/s1
InChIKey:
UYWUMFGDPBMNCA-NIFZNCRKSA-N

Cite this record

CBID:174327 http://www.chembase.cn/molecule-174327.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2R,3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-methoxyoxan-2-yl]methyl acetate
IUPAC Traditional name
[(2R,3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-methoxyoxan-2-yl]methyl acetate
Synonyms
Methyl β-D-Mannopyranoside Tetraacetate
NSC 1963
Methyl 2,3,4,6-Tetra-O-acetyl-β-D-mannopyranoside
CAS Number
5019-25-0
PubChem SID
164230237
PubChem CID
10926528

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M327000 external link Add to cart
PubChem 10926528 external link
Data Source Data ID Price
TRC
M327000 external link Add to cart Please log in.
Data Source Data ID
PubChem 10926528 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.52491105  LogD (pH = 7.4) -0.52491105 
Log P -0.52491105  Molar Refractivity 77.2806 cm3
Polarizability 32.43612 Å3 Polar Surface Area 123.66 Å2
Rotatable Bonds 10  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

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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