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125113-68-0

125113-68-0 | D-Galactose, 4-(hydrogen sulfate), monosodium salt (9CI)

CAS No: 125113-68-0 Catalog No: AG000N83 MDL No:

Product Description

Catalog Number:
AG000N83
Chemical Name:
D-Galactose, 4-(hydrogen sulfate), monosodium salt (9CI)
CAS Number:
125113-68-0
Molecular Formula:
C6H11NaO9S
Molecular Weight:
282.2009
IUPAC Name:
sodium;[(2R,3S,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl] sulfate
InChI:
InChI=1S/C6H12O9S.Na/c7-1-3(9)5(11)6(4(10)2-8)15-16(12,13)14;/h1,3-6,8-11H,2H2,(H,12,13,14);/q;+1/p-1/t3-,4+,5+,6-;/m0./s1
InChI Key:
PPFRJSVPFMKACS-NQZVPSPJSA-M
SMILES:
OC[C@H]([C@@H]([C@@H]([C@H](C=O)O)O)OS(=O)(=O)[O-])O.[Na+]

Properties

Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
282.002g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
282.195g/mol
Monoisotopic Mass:
282.002g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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