H-D-Ser(SOH)-OH
PubChem CID
4371770
Structure
Molecular Formula
Synonyms
- H-D-Ser(SOH)-OH
- H-Ser(SOH)-OH
- 5438-01-7
- d,l-serine-O-sulfate
- AGN-PC-04Y1ZR
Molecular Weight
185.16 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2005-09-14
- Modify:2024-12-07
Chemical Structure Depiction
SVG Image
IUPAC Condensed
H-DL-Ser(SO3H)-OH
Sequence
X
HELM
PEPTIDE1{[C(C(C(=O)O)N)OS(=O)(=O)O]}$$$$
IUPAC
O-sulfo-DL-serine
2-amino-3-sulfooxypropanoic acid
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C3H7NO6S/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
LFZGUGJDVUUGLK-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
C(C(C(=O)O)N)OS(=O)(=O)O
Computed by OEChem 2.1.5 (PubChem release 2019.06.18)
C3H7NO6S
Computed by PubChem 2.1 (PubChem release 2019.06.18)
5438-01-7
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
185.16 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
-4.4
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
184.99940812 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
184.99940812 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
135Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
11
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
227
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Stereo Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Stereo Count
Same Parent, Isotope Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=LFZGUGJDVUUGLK-UHFFFAOYSA-N
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- EPA DSSToxAGN-PC-04Y1ZRhttps://comptox.epa.gov/dashboard/DTXSID30402513
- Springer Nature
- WikidataAGN-PC-04Y1ZRhttps://www.wikidata.org/wiki/Q82205928
- PubChem
- PATENTSCOPE (WIPO)SID 392647291https://pubchem.ncbi.nlm.nih.gov/substance/392647291
CONTENTS