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169105-89-9

169105-89-9 | 3,4-Piperidinediol, 5-(hydroxymethyl)-, (3R,4R,5R)-

CAS No: 169105-89-9 Catalog No: AG001YGP MDL No:

Product Description

Catalog Number:
AG001YGP
Chemical Name:
3,4-Piperidinediol, 5-(hydroxymethyl)-, (3R,4R,5R)-
CAS Number:
169105-89-9
Molecular Formula:
C6H13NO3
Molecular Weight:
147.1723
IUPAC Name:
(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol
InChI:
InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
InChI Key:
QPYJXFZUIJOGNX-HSUXUTPPSA-N
SMILES:
OC[C@H]1CNC[C@H]([C@@H]1O)O
UNII:
G23AP190YS

Properties

Complexity:
109  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
147.09g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
147.174g/mol
Monoisotopic Mass:
147.09g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5  

Literature

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