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CID 25240484

PubChem CID
25240484
Structure
CID 25240484_small.png
Molecular Formula
Status
Non-live
Molecular Weight
134.15 g/mol
Dates
  • Create:
    2009-05-07

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 25240484.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-amino-5-deuterio-5-hydroxypentanoic acid

2.1.2 InChI

InChI=1S/C5H11NO3/c6-4(5(8)9)2-1-3-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1/i3D/t3?,4-

2.1.3 InChIKey

CZWARROQQFCFJB-QOOYSLLASA-N

2.1.4 SMILES

[2H]C(CC[C@@H](C(=O)O)N)O

2.2 Molecular Formula

C5H11NO3

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
134.15 g/mol
Property Name
XLogP3
Property Value
-4.2
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
134.080169959 g/mol
Property Name
Monoisotopic Mass
Property Value
134.080169959 g/mol
Property Name
Topological Polar Surface Area
Property Value
83.6 A^2
Property Name
Heavy Atom Count
Property Value
9
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
94.2
Property Name
Isotope Atom Count
Property Value
1
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
1
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

4 Information Sources

CONTENTS