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116026-31-4 | 2,3,4,5-Piperidinetetrol, 6-[(phosphonooxy)methyl]-, (3R,4S,5R,6R)-
CAS No: 116026-31-4 Catalog No: AG000BFK MDL No:
Product Description
Catalog Number:
AG000BFK
Chemical Name:
2,3,4,5-Piperidinetetrol, 6-[(phosphonooxy)methyl]-, (3R,4S,5R,6R)-
CAS Number:
116026-31-4
Molecular Formula:
C6H14NO8P
Molecular Weight:
259.1510
IUPAC Name:
(3,4,5,6-tetrahydroxypiperidin-2-yl)methyl dihydrogen phosphate
InChI:
InChI=1S/C6H14NO8P/c8-3-2(1-15-16(12,13)14)7-6(11)5(10)4(3)9/h2-11H,1H2,(H2,12,13,14)
InChI Key:
GOGMMRLMDFIUBC-UHFFFAOYSA-N
SMILES:
OC1N[C@H](COP(=O)(O)O)[C@H]([C@@H]([C@H]1O)O)O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
259.151g/mol
Monoisotopic Mass:
259.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
160A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.8
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