Home > Compound List > Compound details
10030-85-0 molecular structure
click picture or here to close

(2R,3R,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol hydrate

ChemBase ID: 133257
Molecular Formular: C6H14O6
Molecular Mass: 182.17176
Monoisotopic Mass: 182.07903817
SMILES and InChIs

SMILES:
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O.O
Canonical SMILES:
O[C@H]1[C@H](C)O[C@H]([C@@H]([C@@H]1O)O)O.O
InChI:
InChI=1S/C6H12O5.H2O/c1-2-3(7)4(8)5(9)6(10)11-2;/h2-10H,1H3;1H2/t2-,3-,4+,5+,6+;/m0./s1
InChIKey:
BNRKZHXOBMEUGK-NRBMBCGPSA-N

Cite this record

CBID:133257 http://www.chembase.cn/molecule-133257.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,3R,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol hydrate
IUPAC Traditional name
α-L-rhamnopyranose hydrate
Synonyms
L-Rhamnose monohydrate
6-Deoxy-L-mannose
L(+)Rhamnopyranose
6-脱氧-L-甘露糖
L(+)吡喃鼠李糖
L-鼠李糖 一水合物
CAS Number
10030-85-0
EC Number
222-793-4
MDL Number
MFCD00071591
Beilstein Number
3912643
PubChem SID
24888124
24899364
162227534
PubChem CID
22856332

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22856332 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.30218  H Acceptors
H Donor LogD (pH = 5.5) -1.8856299 
LogD (pH = 7.4) -1.8856835  Log P -1.8856293 
Molar Refractivity 34.3797 cm3 Polarizability 14.43744 Å3
Polar Surface Area 90.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble0.1 g/mL, clear, colorless expand Show data source
Melting Point
90-95 °C expand Show data source
Optical Rotation
[α]20/D +8±0.5°, 2 hr, c = 5% in H2O expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99% expand Show data source
≥99.0% expand Show data source
≥99.0% (HPLC) expand Show data source
Grade
for microbiology expand Show data source
Ignition Residue
≤0.1% (as SO4) expand Show data source
Cation Traces
As: ≤0.1 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤50 mg/kg expand Show data source
sulfate (SO42-): ≤50 mg/kg expand Show data source
Empirical Formula (Hill Notation)
C6H12O5 · H2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - R3875 external link
包装
10 mg in autosmp vl

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