Structure Database (LMSD)

Common Name
2-Deoxyribonic acid
Systematic Name
(3S,4R)-3,4,5-trihydroxypentanoic acid
Synonyms
LM ID
LMFA01050477
Formula
Exact Mass
Calculate m/z
150.052825
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
VBUWJOHKCBQXNU-IUYQGCFVSA-N
InChi (Click to copy)
InChI=1S/C5H10O5/c6-2-4(8)3(7)1-5(9)10/h3-4,6-8H,1-2H2,(H,9,10)/t3-,4+/m0/s1
SMILES (Click to copy)
O[C@@H](CC(=O)O)[C@H](O)CO

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 136.37
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP -0.97
Molar Refractivity 32.87

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Created at
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Updated at
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