CID 46936795
PubChem CID
46936795
Structure
Molecular Formula
Status
Non-live
Molecular Weight
140.16 g/mol
Dates
- Create:2010-11-09
Chemical Structure Depiction
(2R)-2-amino-3-(1H-imidazol-3-ium-5-yl)propanal
InChI=1S/C6H9N3O/c7-5(3-10)1-6-2-8-4-9-6/h2-5H,1,7H2,(H,8,9)/p+1/t5-/m1/s1
VYOIELONWKIZJS-RXMQYKEDSA-O
C1=C(NC=[NH+]1)C[C@H](C=O)N
C6H10N3O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
140.16 g/mol
Property Name
XLogP3-AA
Property Value
-0.8
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
140.082386951 g/mol
Property Name
Monoisotopic Mass
Property Value
140.082386951 g/mol
Property Name
Topological Polar Surface Area
Property Value
73A^2
Property Name
Heavy Atom Count
Property Value
10
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
118
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
CONTENTS