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102783-53-9 | 2,3-Diphospho-D-glyceric acid pentasodium salt
CAS No: 102783-53-9 Catalog No: AG003FKV MDL No:
Product Description
Catalog Number:
AG003FKV
Chemical Name:
2,3-Diphospho-D-glyceric acid pentasodium salt
CAS Number:
102783-53-9
Molecular Formula:
C3H3Na5O10P2
Molecular Weight:
375.9463
IUPAC Name:
pentasodium;(2R)-2,3-diphosphonatooxypropanoate
InChI:
InChI=1S/C3H8O10P2.5Na/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8;;;;;/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11);;;;;/q;5*+1/p-5/t2-;;;;;/m1...../s1
InChI Key:
KPRMRMXBVAUXKZ-WXQRJNCRSA-I
SMILES:
[Na]OC(=O)C(C(P(=O)(O[Na])O[Na])O)OP(=O)(O[Na])O[Na]
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
6
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
375.869g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.943g/mol
Monoisotopic Mass:
375.869g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
185A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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