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[(2R,3S,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-{[(2R,3S,4R)-4-(acetyloxy)-2-[(acetyloxy)methyl]-3,4-dihydro-2H-pyran-3-yl]oxy}oxan-2-yl]methyl acetate
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ChemBase ID:
172159
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Molecular Formular:
C24H32O15
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Molecular Mass:
560.50188
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Monoisotopic Mass:
560.17412032
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SMILES and InChIs
SMILES:
[C@H]1([C@@H]([C@@H]([C@@H](O[C@H]1COC(=O)C)O[C@H]1[C@@H](C=CO[C@H]1COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Canonical SMILES:
CC(=O)OC[C@@H]1OC=C[C@H]([C@@H]1O[C@@H]1O[C@@H](COC(=O)C)[C@@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI:
InChI=1S/C24H32O15/c1-11(25)32-9-18-20(17(7-8-31-18)34-13(3)27)39-24-23(37-16(6)30)22(36-15(5)29)21(35-14(4)28)19(38-24)10-33-12(2)26/h7-8,17-24H,9-10H2,1-6H3/t17-,18-,19-,20+,21+,22+,23-,24+/m1/s1
InChIKey:
RCDAESHZJBZWAW-AXHDHDPASA-N
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Cite this record
CBID:172159 http://www.chembase.cn/molecule-172159.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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[(2R,3S,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-{[(2R,3S,4R)-4-(acetyloxy)-2-[(acetyloxy)methyl]-3,4-dihydro-2H-pyran-3-yl]oxy}oxan-2-yl]methyl acetate
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IUPAC Traditional name
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[(2R,3S,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-{[(2R,3S,4R)-4-(acetyloxy)-2-[(acetyloxy)methyl]-3,4-dihydro-2H-pyran-3-yl]oxy}oxan-2-yl]methyl acetate
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Synonyms
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1,5-Anhydro-2-deoxy-4-O-(2,3,4,6-tetra-O-acetyl-.beta.-D-galactopyranosyl)-D-arabino-hex-1-enitol Diacetate
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Lactal Peracetate
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Hexaacetyl-D-lactal
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3,6,2',3',4',6'-Hexa-O-acetyl-D-lactal
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Lactal Hexaacetate
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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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9
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H Donor
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0
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LogD (pH = 5.5)
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-0.7614233
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LogD (pH = 7.4)
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-0.7614233
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Log P
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-0.7614233
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Molar Refractivity
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121.1014 cm3
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Polarizability
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50.419064 Å3
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Polar Surface Area
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185.49 Å2
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Rotatable Bonds
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16
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Lipinski's Rule of Five
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false
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PATENTS
PATENTS
PubChem Patent
Google Patent