[(2R)-3-[hydroxy(2-sulfanylethoxy)phosphoryl]oxy-2-propanoyloxypropyl] propanoate

C11H21O8PS — CID 59266682

IUPAC[(2R)-3-[hydroxy(2-sulfanylethoxy)phosphoryl]oxy-2-propanoyloxypropyl] propanoate
SMILESCCC(=O)OC[C@H](COP(=O)(O)OCCS)OC(=O)CC
InChIInChI=1S/C11H21O8PS/c1-3-10(12)16-7-9(19-11(13)4-2)8-18-20(14,15)17-5-6-21/h9,21H,3-8H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyLTBGOHZSGUGCPR-SECBINFHSA-N
MW344.32 g/mol
LogP1.32
Rot. Bonds11

About [(2R)-3-[hydroxy(2-sulfanylethoxy)phosphoryl]oxy-2-propanoyloxypropyl] propanoate

[(2R)-3-[hydroxy(2-sulfanylethoxy)phosphoryl]oxy-2-propanoyloxypropyl] propanoate (PubChem CID 59266682) has the molecular formula C11H21O8PS and a molecular weight of 344.32 g/mol. Its IUPAC name is [(2R)-3-[hydroxy(2-sulfanylethoxy)phosphoryl]oxy-2-propanoyloxypropyl] propanoate.

Molecular Properties

Compound Name[(2R)-3-[hydroxy(2-sulfanylethoxy)phosphoryl]oxy-2-propanoyloxypropyl] propanoate
PubChem CID59266682
Molecular FormulaC11H21O8PS
Molecular Weight344.32 g/mol
Exact Mass344.07
IUPAC Name[(2R)-3-[hydroxy(2-sulfanylethoxy)phosphoryl]oxy-2-propanoyloxypropyl] propanoate
SMILESCCC(=O)OC[C@H](COP(=O)(O)OCCS)OC(=O)CC
InChIInChI=1S/C11H21O8PS/c1-3-10(12)16-7-9(19-11(13)4-2)8-18-20(14,15)17-5-6-21/h9,21H,3-8H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyLTBGOHZSGUGCPR-SECBINFHSA-N
XLogP1.32
TPSA108.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [(2R)-3-[hydroxy(2-sulfanylethoxy)phosphoryl]oxy-2-propanoyloxypropyl] propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-propanoyloxypropyl] hexanoate
CID 128963611
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] undecanoate
CID 135393492
[1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-octadecanoyloxypropan-2-yl] docosanoate
CID 131821111
[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-tetracosanoyloxypropyl] tetracosanoate
CID 131821736
[(2S)-3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
CID 92863437
[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] icosanoate
CID 131821292
[(2R)-1-[[(2R)-3-[[(2R)-3-dodecanoyloxy-2-heptanoyloxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] octadecanoate
CID 163183473
2-[[(2R)-2,3-bis(11-sulfanylundecanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 22841545
2-[[(2R)-2-hexadecanoyloxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 102414079
2-[hydroxy-(2-pentacosanoyloxy-3-propanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
CID 138265540
[(2R)-1-dodecanoyloxy-3-[hydroxy-[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-pentanoyloxy-3-propanoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropan-2-yl] octadecanoate
CID 163410135
[(2R)-2-acetyloxy-3-[[(2R)-3-[[(2R)-2,3-diacetyloxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropyl] propanoate;propane
CID 163183432

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-[hydroxy(2-sulfanylethoxy)phosphoryl]oxy-2-propanoyloxypropyl] propanoate?
The IUPAC name of [(2R)-3-[hydroxy(2-sulfanylethoxy)phosphoryl]oxy-2-propanoyloxypropyl] propanoate (CID 59266682) is [(2R)-3-[hydroxy(2-sulfanylethoxy)phosphoryl]oxy-2-propanoyloxypropyl] propanoate.
What is the SMILES notation for [(2R)-3-[hydroxy(2-sulfanylethoxy)phosphoryl]oxy-2-propanoyloxypropyl] propanoate?
The canonical SMILES for [(2R)-3-[hydroxy(2-sulfanylethoxy)phosphoryl]oxy-2-propanoyloxypropyl] propanoate is CCC(=O)OC[C@H](COP(=O)(O)OCCS)OC(=O)CC.
What is the InChIKey of [(2R)-3-[hydroxy(2-sulfanylethoxy)phosphoryl]oxy-2-propanoyloxypropyl] propanoate?
The InChIKey is LTBGOHZSGUGCPR-SECBINFHSA-N. The full InChI is InChI=1S/C11H21O8PS/c1-3-10(12)16-7-9(19-11(13)4-2)8-18-20(14,15)17-5-6-21/h9,21H,3-8H2,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of [(2R)-3-[hydroxy(2-sulfanylethoxy)phosphoryl]oxy-2-propanoyloxypropyl] propanoate?
[(2R)-3-[hydroxy(2-sulfanylethoxy)phosphoryl]oxy-2-propanoyloxypropyl] propanoate has a molecular weight of 344.32 g/mol, XLogP of 1.32, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-[hydroxy(2-sulfanylethoxy)phosphoryl]oxy-2-propanoyloxypropyl] propanoate is sourced from PubChem (CID 59266682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).