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13408-09-8 | Sodium 1,3-dihydroxypropan-2-yl phosphate pentahydrate
CAS No: 13408-09-8 Catalog No: AG003O66 MDL No:MFCD00002135
Product Description
Catalog Number:
AG003O66
Chemical Name:
Sodium 1,3-dihydroxypropan-2-yl phosphate pentahydrate
CAS Number:
13408-09-8
Molecular Formula:
C3H17Na2O11P
Molecular Weight:
306.1138
MDL Number:
MFCD00002135
IUPAC Name:
disodium;1,3-dihydroxypropan-2-yl phosphate;pentahydrate
InChI:
InChI=1S/C3H9O6P.2Na.5H2O/c4-1-3(2-5)9-10(6,7)8;;;;;;;/h3-5H,1-2H2,(H2,6,7,8);;;5*1H2/q;2*+1;;;;;/p-2
InChI Key:
PEMUISUYOHQFQH-UHFFFAOYSA-L
SMILES:
OCC(OP(=O)([O-])[O-])CO.O.O.O.O.O.[Na+].[Na+]
EC Number:
212-464-3
UNII:
5JIY5MMX0E
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
8
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.03g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
306.111g/mol
Monoisotopic Mass:
306.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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