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[(2R,3R,4S,5S,6S)-3,4,5-tris(acetyloxy)-6-{[(2R,3R,4S,5S)-3,4,5,6-tetrakis(acetyloxy)oxan-2-yl]methoxy}oxan-2-yl]methyl acetate
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ChemBase ID:
159472
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Molecular Formular:
C28H38O19
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Molecular Mass:
678.58992
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Monoisotopic Mass:
678.200729
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SMILES and InChIs
SMILES:
[C@@H]1([C@@H]([C@@H]([C@H](O[C@H]1COC(=O)C)OC[C@H]1[C@H]([C@@H]([C@@H](C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Canonical SMILES:
CC(=O)OC[C@@H]1O[C@H](OC[C@@H]2OC(OC(=O)C)[C@H]([C@H]([C@@H]2OC(=O)C)OC(=O)C)OC(=O)C)[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
InChI:
InChI=1S/C28H38O19/c1-11(29)37-9-19-21(39-12(2)30)23(41-14(4)32)25(43-16(6)34)27(46-19)38-10-20-22(40-13(3)31)24(42-15(5)33)26(44-17(7)35)28(47-20)45-18(8)36/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22-,23+,24+,25+,26+,27+,28?/m1/s1
InChIKey:
GNTLGGDVHFXGLI-RHRLCGFESA-N
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Cite this record
CBID:159472 http://www.chembase.cn/molecule-159472.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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[(2R,3R,4S,5S,6S)-3,4,5-tris(acetyloxy)-6-{[(2R,3R,4S,5S)-3,4,5,6-tetrakis(acetyloxy)oxan-2-yl]methoxy}oxan-2-yl]methyl acetate
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IUPAC Traditional name
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[(2R,3R,4S,5S,6S)-3,4,5-tris(acetyloxy)-6-{[(2R,3R,4S,5S)-3,4,5,6-tetrakis(acetyloxy)oxan-2-yl]methoxy}oxan-2-yl]methyl acetate
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Synonyms
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6-O-(2,3,4,6-Tetra-O-acetyl-α-D-mannopyranosyl)-D-mannopyranose Tetraacetate
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Acetyl 6-O-(2,3,4,6-Tetra-O-acetyl-α-D-mannopyranosyl)-2,3,4-tri-O-acetyl-D-mannopyrannose
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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11
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H Donor
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0
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LogD (pH = 5.5)
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-1.1743716
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LogD (pH = 7.4)
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-1.1743716
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Log P
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-1.1743716
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Molar Refractivity
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141.5487 cm3
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Polarizability
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59.79338 Å3
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Polar Surface Area
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238.09 Å2
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Rotatable Bonds
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20
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Lipinski's Rule of Five
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false
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PROPERTIES
PROPERTIES
Physical Property
Safety Information
Product Information
Bioassay(PubChem)
Solubility
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Dichloromethane
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Show
data source
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Apperance
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White Foam
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent