2-dihydroxyphosphinothioylacetic acid;2-phosphonoacetic acid

C4H10O9P2S — CID 157277626

IUPAC2-dihydroxyphosphinothioylacetic acid;2-phosphonoacetic acid
SMILESO=C(O)CP(=O)(O)O.O=C(O)CP(O)(O)=S
InChIInChI=1S/C2H5O5P.C2H5O4PS/c3-2(4)1-8(5,6)7;3-2(4)1-7(5,6)8/h1H2,(H,3,4)(H2,5,6,7);1H2,(H,3,4)(H2,5,6,8)
InChIKeyAZHFGMDVBKUTDO-UHFFFAOYSA-N
MW296.13 g/mol
LogP-1.39
Rot. Bonds4

About 2-dihydroxyphosphinothioylacetic acid;2-phosphonoacetic acid

2-dihydroxyphosphinothioylacetic acid;2-phosphonoacetic acid (PubChem CID 157277626) has the molecular formula C4H10O9P2S and a molecular weight of 296.13 g/mol. Its IUPAC name is 2-dihydroxyphosphinothioylacetic acid;2-phosphonoacetic acid.

Molecular Properties

Compound Name2-dihydroxyphosphinothioylacetic acid;2-phosphonoacetic acid
PubChem CID157277626
Molecular FormulaC4H10O9P2S
Molecular Weight296.13 g/mol
Exact Mass295.95
IUPAC Name2-dihydroxyphosphinothioylacetic acid;2-phosphonoacetic acid
SMILESO=C(O)CP(=O)(O)O.O=C(O)CP(O)(O)=S
InChIInChI=1S/C2H5O5P.C2H5O4PS/c3-2(4)1-8(5,6)7;3-2(4)1-7(5,6)8/h1H2,(H,3,4)(H2,5,6,7);1H2,(H,3,4)(H2,5,6,8)
InChIKeyAZHFGMDVBKUTDO-UHFFFAOYSA-N
XLogP-1.39
TPSA172.59 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.13
LogP ≤ 5-1.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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CID 87438381
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CID 175306735
2-hydroxypropane-1,2,3-tricarboxylic acid;2-phosphonoacetic acid
CID 118416602
2-difluorophosphorylacetic acid
CID 87531772
(2-bromo-2-oxoethyl)phosphonic acid
CID 87391057
5-phenylpentanoic acid;2-phosphonoacetic acid
CID 67686040
2-[hydroxy(sulfanyloxy)phosphoryl]acetic acid
CID 87059466
sodium 2-phosphonoacetate
CID 70692044
2-hydroxyacetic acid;phosphoric acid
CID 23322415
2-[[2-[carboxymethyl(hydroxy)phosphoryl]oxycyclohexyl]oxy-hydroxyphosphoryl]acetic acid
CID 159109460
2-phosphonoethaneperoxoic acid
CID 87971374

Frequently Asked Questions

What is the IUPAC name of 2-dihydroxyphosphinothioylacetic acid;2-phosphonoacetic acid?
The IUPAC name of 2-dihydroxyphosphinothioylacetic acid;2-phosphonoacetic acid (CID 157277626) is 2-dihydroxyphosphinothioylacetic acid;2-phosphonoacetic acid.
What is the SMILES notation for 2-dihydroxyphosphinothioylacetic acid;2-phosphonoacetic acid?
The canonical SMILES for 2-dihydroxyphosphinothioylacetic acid;2-phosphonoacetic acid is O=C(O)CP(=O)(O)O.O=C(O)CP(O)(O)=S.
What is the InChIKey of 2-dihydroxyphosphinothioylacetic acid;2-phosphonoacetic acid?
The InChIKey is AZHFGMDVBKUTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O5P.C2H5O4PS/c3-2(4)1-8(5,6)7;3-2(4)1-7(5,6)8/h1H2,(H,3,4)(H2,5,6,7);1H2,(H,3,4)(H2,5,6,8).
What are the key properties of 2-dihydroxyphosphinothioylacetic acid;2-phosphonoacetic acid?
2-dihydroxyphosphinothioylacetic acid;2-phosphonoacetic acid has a molecular weight of 296.13 g/mol, XLogP of -1.39, 4 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dihydroxyphosphinothioylacetic acid;2-phosphonoacetic acid is sourced from PubChem (CID 157277626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).