Home > Compound List > Compound details
74841-88-6 molecular structure
click picture or here to close

(2S,3S,4R,5R,6S)-3,4,5-tris(benzyloxy)-2-methoxy-6-methyloxane

ChemBase ID: 174377
Molecular Formular: C28H32O5
Molecular Mass: 448.55068
Monoisotopic Mass: 448.22497412
SMILES and InChIs

SMILES:
[C@H]1([C@H](O[C@H]([C@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)C)OC)OCc1ccccc1
Canonical SMILES:
CO[C@H]1O[C@@H](C)[C@H]([C@@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
InChI:
InChI=1S/C28H32O5/c1-21-25(30-18-22-12-6-3-7-13-22)26(31-19-23-14-8-4-9-15-23)27(28(29-2)33-21)32-20-24-16-10-5-11-17-24/h3-17,21,25-28H,18-20H2,1-2H3/t21-,25+,26+,27-,28-/m0/s1
InChIKey:
QTDLREJYMFIJBR-QUYLDEAFSA-N

Cite this record

CBID:174377 http://www.chembase.cn/molecule-174377.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S,3S,4R,5R,6S)-3,4,5-tris(benzyloxy)-2-methoxy-6-methyloxane
IUPAC Traditional name
(2S,3S,4R,5R,6S)-3,4,5-tris(benzyloxy)-2-methoxy-6-methyloxane
Synonyms
Methyl 6-Deoxy-2,3,4-tris-O-(phenylmethyl)-β-L-galactopyranoside
Methyl 2,3,4,-Tri-O-benzyl-β-L-fucopyranoside
CAS Number
74841-88-6
PubChem SID
164230287
PubChem CID
7167933

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M330810 external link Add to cart
PubChem 7167933 external link
Data Source Data ID Price
TRC
M330810 external link Add to cart Please log in.
Data Source Data ID
PubChem 7167933 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.8602962  LogD (pH = 7.4) 5.8602962 
Log P 5.8602962  Molar Refractivity 127.2223 cm3
Polarizability 50.657013 Å3 Polar Surface Area 46.15 Å2
Rotatable Bonds 10  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichlormethane expand Show data source
Ethyl Acetate expand Show data source
Apperance
Yellow Oil expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle