Home > Compound List > Compound details
65877-63-6 molecular structure
click picture or here to close

(2S,4S,5R)-4-(benzyloxy)-6-(hydroxymethyl)oxane-2,3,5-triol

ChemBase ID: 161638
Molecular Formular: C13H18O6
Molecular Mass: 270.27842
Monoisotopic Mass: 270.1103383
SMILES and InChIs

SMILES:
[C@@H]1([C@@H](C([C@H](OC1CO)O)O)OCc1ccccc1)O
Canonical SMILES:
OCC1O[C@H](O)C([C@H]([C@@H]1O)OCc1ccccc1)O
InChI:
InChI=1S/C13H18O6/c14-6-9-10(15)12(11(16)13(17)19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9?,10-,11?,12+,13+/m1/s1
InChIKey:
FYEFQDXXKFUMOJ-LSBUWSJDSA-N

Cite this record

CBID:161638 http://www.chembase.cn/molecule-161638.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S,4S,5R)-4-(benzyloxy)-6-(hydroxymethyl)oxane-2,3,5-triol
IUPAC Traditional name
(2S,4S,5R)-4-(benzyloxy)-6-(hydroxymethyl)oxane-2,3,5-triol
Synonyms
3-O-(Phenylmethyl)-α-D-mannopyranose
3-O-Benzyl-α-D-mannopyranoside
CAS Number
65877-63-6
PubChem SID
162255773
PubChem CID
46783503

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC B282425 external link Add to cart
PubChem 46783503 external link
Data Source Data ID Price
TRC
B282425 external link Add to cart Please log in.
Data Source Data ID
PubChem 46783503 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.305496  H Acceptors
H Donor LogD (pH = 5.5) -0.5649403 
LogD (pH = 7.4) -0.5649935  Log P -0.5649396 
Molar Refractivity 65.2872 cm3 Polarizability 26.44413 Å3
Polar Surface Area 99.38 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Apperance
Amorphous White Powder 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