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1555-56-2 molecular structure
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disodium 3-(phosphonatooxy)propane-1,2-diol pentahydrate

ChemBase ID: 102750
Molecular Formular: C3H17Na2O11P
Molecular Mass: 306.113781
Monoisotopic Mass: 306.03038656
SMILES and InChIs

SMILES:
O.O.O.O.O.[Na+].[Na+].OCC(O)COP(=O)([O-])[O-]
Canonical SMILES:
OCC(COP(=O)([O-])[O-])O.O.O.O.O.O.[Na+].[Na+]
InChI:
InChI=1S/C3H9O6P.2Na.5H2O/c4-1-3(5)2-9-10(6,7)8;;;;;;;/h3-5H,1-2H2,(H2,6,7,8);;;5*1H2/q;2*+1;;;;;/p-2
InChIKey:
SBFVALMGWYYFEN-UHFFFAOYSA-L

Cite this record

CBID:102750 http://www.chembase.cn/molecule-102750.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
disodium 3-(phosphonatooxy)propane-1,2-diol pentahydrate
IUPAC Traditional name
dipotassium glyceryl phosphate pentahydrate
Synonyms
GLYCEROPHOSPHATE DISODIUM SALT PENTAHYDRATE
CAS Number
1555-56-2
EC Number
216-304-3
PubChem SID
162090069
PubChem CID
23353018

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02102914 external link Add to cart Please log in.
Data Source Data ID
PubChem 23353018 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.5077547  H Acceptors
H Donor LogD (pH = 5.5) -4.366909 
LogD (pH = 7.4) -5.247459  Log P -1.9625801 
Molar Refractivity 29.1456 cm3 Polarizability 12.625253 Å3
Polar Surface Area 112.88 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
Room Temperature (15-30°C) expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02102914 external link
Disodium Salt
Pentahydrate
Contains approx. 60% α-Glycerophosphate, sodium salt and 40% β-Glycerophosphate, sodium salt. White, fine crystalline, hygroscopic powder.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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