Home > Compound List > Compound details
57783-80-9 molecular structure
click picture or here to close

(6R,8S,8aS)-6,7,8-tris(benzyloxy)-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxine

ChemBase ID: 161419
Molecular Formular: C34H34O6
Molecular Mass: 538.63016
Monoisotopic Mass: 538.23553881
SMILES and InChIs

SMILES:
[C@H]1(C([C@@H](OC2[C@@H]1OC(OC2)c1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
Canonical SMILES:
c1ccc(cc1)CO[C@@H]1C(OCc2ccccc2)[C@H](OCc2ccccc2)OC2[C@@H]1OC(OC2)c1ccccc1
InChI:
InChI=1S/C34H34O6/c1-5-13-25(14-6-1)21-35-31-30-29(24-38-33(40-30)28-19-11-4-12-20-28)39-34(37-23-27-17-9-3-10-18-27)32(31)36-22-26-15-7-2-8-16-26/h1-20,29-34H,21-24H2/t29?,30-,31-,32?,33?,34+/m0/s1
InChIKey:
GQMVOFUMWKGWCK-COIFCGFESA-N

Cite this record

CBID:161419 http://www.chembase.cn/molecule-161419.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(6R,8S,8aS)-6,7,8-tris(benzyloxy)-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxine
IUPAC Traditional name
(6R,8S,8aS)-6,7,8-tris(benzyloxy)-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxine
Synonyms
Phenylmethyl 2,3-Bis-O-(phenylmethyl)-4,6-O-(phenylmethylene)-β-D-galactopyranoside
Benzyl 4,6-O-Benzylidene-2,3-di-O-benzyl-β-D-galactpyranoside
CAS Number
57783-80-9
PubChem SID
162255554
PubChem CID
71313776

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC B232000 external link Add to cart
PubChem 71313776 external link
Data Source Data ID Price
TRC
B232000 external link Add to cart Please log in.
Data Source Data ID
PubChem 71313776 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.335339  LogD (pH = 7.4) 7.335339 
Log P 7.335339  Molar Refractivity 150.8984 cm3
Polarizability 60.206493 Å3 Polar Surface Area 55.38 Å2
Rotatable Bonds 10  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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