(2S)-2-[hydroxy(propoxy)phosphinothioyl]oxypentanedioic acid

C8H15O7PS — CID 10902197

IUPAC(2S)-2-[hydroxy(propoxy)phosphinothioyl]oxypentanedioic acid
SMILESCCCOP(O)(=S)O[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C8H15O7PS/c1-2-5-14-16(13,17)15-6(8(11)12)3-4-7(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12)(H,13,17)/t6-,16?/m0/s1
InChIKeyNKXQURQXGJUSLT-AIUXZDRISA-N
MW286.24 g/mol
LogP0.96
Rot. Bonds9

About (2S)-2-[hydroxy(propoxy)phosphinothioyl]oxypentanedioic acid

(2S)-2-[hydroxy(propoxy)phosphinothioyl]oxypentanedioic acid (PubChem CID 10902197) has the molecular formula C8H15O7PS and a molecular weight of 286.24 g/mol. Its IUPAC name is (2S)-2-[hydroxy(propoxy)phosphinothioyl]oxypentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[hydroxy(propoxy)phosphinothioyl]oxypentanedioic acid
PubChem CID10902197
Molecular FormulaC8H15O7PS
Molecular Weight286.24 g/mol
Exact Mass286.03
IUPAC Name(2S)-2-[hydroxy(propoxy)phosphinothioyl]oxypentanedioic acid
SMILESCCCOP(O)(=S)O[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C8H15O7PS/c1-2-5-14-16(13,17)15-6(8(11)12)3-4-7(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12)(H,13,17)/t6-,16?/m0/s1
InChIKeyNKXQURQXGJUSLT-AIUXZDRISA-N
XLogP0.96
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methylperoxypentanedioic acid
CID 87972378
(2R)-2-acetyloxypentanedioic acid
CID 150835341
3-dipropoxyphosphorylpropanoic acid
CID 34250012
(4R,5R)-4-amino-5-methylheptanoic acid;hydrochloride
CID 55254083
2-diethoxyphosphoryloxyundecanoic acid
CID 140606222
4-diethoxyphosphoryl-5-hydroxypentanoic acid
CID 175815296
3-hydroxy-2-propoxypropanoic acid
CID 87915368
2-(3-carboxypropanoylperoxy)dodecanoic acid
CID 88844168
N-hexadecyl-6-[hydroxy(propan-2-yloxy)phosphinothioyl]oxyhexanamide
CID 177289166
2-(diethoxyphosphorylmethyl)pentanedioic acid
CID 118871925
butanoic acid;2-tert-butylperoxybutanoic acid
CID 174997336
2-[hydroxy-[1-(1H-indol-3-yl)ethyl]phosphoryl]oxypentanedioic acid
CID 18472790

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[hydroxy(propoxy)phosphinothioyl]oxypentanedioic acid?
The IUPAC name of (2S)-2-[hydroxy(propoxy)phosphinothioyl]oxypentanedioic acid (CID 10902197) is (2S)-2-[hydroxy(propoxy)phosphinothioyl]oxypentanedioic acid.
What is the SMILES notation for (2S)-2-[hydroxy(propoxy)phosphinothioyl]oxypentanedioic acid?
The canonical SMILES for (2S)-2-[hydroxy(propoxy)phosphinothioyl]oxypentanedioic acid is CCCOP(O)(=S)O[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[hydroxy(propoxy)phosphinothioyl]oxypentanedioic acid?
The InChIKey is NKXQURQXGJUSLT-AIUXZDRISA-N. The full InChI is InChI=1S/C8H15O7PS/c1-2-5-14-16(13,17)15-6(8(11)12)3-4-7(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12)(H,13,17)/t6-,16?/m0/s1.
What are the key properties of (2S)-2-[hydroxy(propoxy)phosphinothioyl]oxypentanedioic acid?
(2S)-2-[hydroxy(propoxy)phosphinothioyl]oxypentanedioic acid has a molecular weight of 286.24 g/mol, XLogP of 0.96, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[hydroxy(propoxy)phosphinothioyl]oxypentanedioic acid is sourced from PubChem (CID 10902197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).