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38982-56-8 molecular structure
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(2S,3R,4S,5S,6R)-4,5-bis(acetyloxy)-2-methoxy-6-[(triphenylmethoxy)methyl]oxan-3-yl acetate

ChemBase ID: 174452
Molecular Formular: C32H34O9
Molecular Mass: 562.60696
Monoisotopic Mass: 562.22028267
SMILES and InChIs

SMILES:
O1[C@@H]([C@H]([C@H]([C@H]([C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)C)OC(=O)C)OC(=O)C)OC
Canonical SMILES:
CO[C@H]1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
InChI:
InChI=1S/C32H34O9/c1-21(33)38-28-27(41-31(36-4)30(40-23(3)35)29(28)39-22(2)34)20-37-32(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,27-31H,20H2,1-4H3/t27-,28+,29+,30-,31+/m1/s1
InChIKey:
CEIHIENXWVDRTC-NBCLCUQJSA-N

Cite this record

CBID:174452 http://www.chembase.cn/molecule-174452.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S,3R,4S,5S,6R)-4,5-bis(acetyloxy)-2-methoxy-6-[(triphenylmethoxy)methyl]oxan-3-yl acetate
IUPAC Traditional name
(2S,3R,4S,5S,6R)-4,5-bis(acetyloxy)-2-methoxy-6-[(triphenylmethoxy)methyl]oxan-3-yl acetate
Synonyms
Methyl 6-O-(Triphenylmethyl)-α-D-galactopyranoside Triacetate
2,3,4-Triacetyl-6-trityl-α-methylgalactoside
Methyl 6-O-Trityl-2,3,4-tri-O-acetyl-α-D-galactopyranoside
CAS Number
38982-56-8
PubChem SID
164230362
PubChem CID
7200318

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M331830 external link Add to cart
PubChem 7200318 external link
Data Source Data ID Price
TRC
M331830 external link Add to cart Please log in.
Data Source Data ID
PubChem 7200318 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.834045  LogD (pH = 7.4) 4.834045 
Log P 4.834045  Molar Refractivity 147.9305 cm3
Polarizability 58.95119 Å3 Polar Surface Area 106.59 Å2
Rotatable Bonds 13  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
White Solid 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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