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204575-08-6 molecular structure
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sodium [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfate

ChemBase ID: 153872
Molecular Formular: C6H11NaO9S
Molecular Mass: 282.20091
Monoisotopic Mass: 282.00214721
SMILES and InChIs

SMILES:
C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)OS(=O)(=O)[O-].[Na+]
Canonical SMILES:
OC1O[C@H](COS(=O)(=O)[O-])[C@H]([C@@H]([C@@H]1O)O)O.[Na+]
InChI:
InChI=1S/C6H12O9S.Na/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8;/h2-10H,1H2,(H,11,12,13);/q;+1/p-1/t2-,3-,4+,5+,6?;/m1./s1
InChIKey:
MKFZWUBBFWXXKZ-XXIBIAAKSA-M

Cite this record

CBID:153872 http://www.chembase.cn/molecule-153872.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfate
IUPAC Traditional name
sodium [(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfate
Synonyms
Man-6S
D-Mannose 6-sulfate sodium salt
D-Mannose 6-sulfate sodium salt 钠盐
CAS Number
204575-08-6
MDL Number
MFCD03410302
PubChem SID
162248011
PubChem CID
71311744

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
14652 external link Add to cart Please log in.
Data Source Data ID
PubChem 71311744 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -1.9926805  H Acceptors
H Donor LogD (pH = 5.5) -5.2539496 
LogD (pH = 7.4) -5.254007  Log P -4.725711 
Molar Refractivity 44.7935 cm3 Polarizability 20.060457 Å3
Polar Surface Area 156.58 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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
Storage Temperature
-20°C expand Show data source
Purity
≥90% (TLC) expand Show data source
Empirical Formula (Hill Notation)
C6H11NaO9S expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 14652 external link
Application
D-Mannose 6-sulfate (Man-6S) occurs in some N-glycans that occur on proteins such as Dictyostelium discoideum cathepsin D and various lysosomal enzymes. Mannose 6-sulfate can be used as a reference material in the chemical analysis of Man-6S glycans.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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