Home > Compound List > Compound details
103476-24-0 molecular structure
click picture or here to close

hexapotassium (1R,2S,3R,4R,5S,6R)-2,3,5-trihydroxy-4,6-bis(phosphonatooxy)cyclohexyl phosphate

ChemBase ID: 104077
Molecular Formular: C6H9K6O15P3
Molecular Mass: 648.637743
Monoisotopic Mass: 647.69766956
SMILES and InChIs

SMILES:
O[C@@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@@H]1OP(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+].[K+]
Canonical SMILES:
O[C@@H]1[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]([C@@H]([C@@H]1O)OP(=O)([O-])[O-])O.[K+].[K+].[K+].[K+].[K+].[K+]
InChI:
InChI=1S/C6H15O15P3.6K/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12;;;;;;/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18);;;;;;/q;6*+1/p-6/t1-,2+,3+,4-,5-,6-;;;;;;/m1....../s1
InChIKey:
DVOPWCOAGWTTEN-PPKFVSOLSA-H

Cite this record

CBID:104077 http://www.chembase.cn/molecule-104077.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
hexapotassium (1R,2S,3R,4R,5S,6R)-2,3,5-trihydroxy-4,6-bis(phosphonatooxy)cyclohexyl phosphate
IUPAC Traditional name
hexapotassium (1R,2S,3R,4R,5S,6R)-2,3,5-trihydroxy-4,6-bis(phosphonatooxy)cyclohexyl phosphate
Synonyms
L-α-Phosphatidylinositol 4,5-bisphosphate
D-myo-INOSITOL-1,4,5-TRISPHOSPHATE (POTASSIUM SALT)
L-myo-INOSITOL 1,4,5-TRISPHOSPHATE HEXAPOTASSIUM SALT
D-myo-INOSITOL 1,3,4-TRISPHOSPHATE (IP3) HEXAPOTASSIUM SALT
CAS Number
103476-24-0
129828-71-3
140385-74-6
PubChem SID
162092409
PubChem CID
16219525

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16219525 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 0.5363206  H Acceptors 12 
H Donor LogD (pH = 5.5) -11.57853 
LogD (pH = 7.4) -15.176788  Log P -4.1527076 
Molar Refractivity 61.6635 cm3 Polarizability 28.377249 Å3
Polar Surface Area 277.95 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
0°C expand Show data source
-20°C, Desiccate expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Purity
~98% expand Show data source
>99% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02154602 external link
(L-α-Phosphatidylinositol 4,5-bisphosphate) From Bovine Brain Tripotassium Salt Purity: ~98% Contains less than 1% of the 2,4,5-isomer. Reported to stimulate selective and specific mobilization of intracellu
MP Biomedicals - 02158352 external link
Hexapotassium Salt
Ins(1,3,4)P3
Synthetic
Purity: >99% as per 1 H and 31 P NMR.
<$E [ alpha ]~sub D~sup 23>= +13.6° (c = 2, H2 O)
pH = 8.2 when disolved in water
MP Biomedicals - 02159607 external link
Hexapotassium Salt
Purity: 99%
Unnatural enantiomer of IP3 .

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Rossier, M.F., et al., Biochem. Biophys. Res. Commun. , 139 : 259 (1986).
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle