propan-2-yl (2R)-2-hydroxy-2-[(1R)-1-hydroxy-2-oxo-2-propan-2-yloxyethyl]sulfanylacetate

C10H18O6S — CID 129391094

IUPACpropan-2-yl (2R)-2-hydroxy-2-[(1R)-1-hydroxy-2-oxo-2-propan-2-yloxyethyl]sulfanylacetate
SMILESCC(C)OC(=O)[C@H](O)S[C@@H](O)C(=O)OC(C)C
InChIInChI=1S/C10H18O6S/c1-5(2)15-7(11)9(13)17-10(14)8(12)16-6(3)4/h5-6,9-10,13-14H,1-4H3/t9-,10-/m1/s1
InChIKeyVZTSCGWDKBJGPK-NXEZZACHSA-N
MW266.31 g/mol
LogP0.26
Rot. Bonds6

About propan-2-yl (2R)-2-hydroxy-2-[(1R)-1-hydroxy-2-oxo-2-propan-2-yloxyethyl]sulfanylacetate

propan-2-yl (2R)-2-hydroxy-2-[(1R)-1-hydroxy-2-oxo-2-propan-2-yloxyethyl]sulfanylacetate (PubChem CID 129391094) has the molecular formula C10H18O6S and a molecular weight of 266.31 g/mol. Its IUPAC name is propan-2-yl (2R)-2-hydroxy-2-[(1R)-1-hydroxy-2-oxo-2-propan-2-yloxyethyl]sulfanylacetate.

Molecular Properties

Compound Namepropan-2-yl (2R)-2-hydroxy-2-[(1R)-1-hydroxy-2-oxo-2-propan-2-yloxyethyl]sulfanylacetate
PubChem CID129391094
Molecular FormulaC10H18O6S
Molecular Weight266.31 g/mol
Exact Mass266.08
IUPAC Namepropan-2-yl (2R)-2-hydroxy-2-[(1R)-1-hydroxy-2-oxo-2-propan-2-yloxyethyl]sulfanylacetate
SMILESCC(C)OC(=O)[C@H](O)S[C@@H](O)C(=O)OC(C)C
InChIInChI=1S/C10H18O6S/c1-5(2)15-7(11)9(13)17-10(14)8(12)16-6(3)4/h5-6,9-10,13-14H,1-4H3/t9-,10-/m1/s1
InChIKeyVZTSCGWDKBJGPK-NXEZZACHSA-N
XLogP0.26
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze propan-2-yl (2R)-2-hydroxy-2-[(1R)-1-hydroxy-2-oxo-2-propan-2-yloxyethyl]sulfanylacetate with MolForge

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Related Compounds

dipropan-2-yl 2-aminopropanedioate
CID 141226348
propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride
CID 122539225
propan-2-yl (2S)-2-hydroxy-3-methylbutanoate
CID 87171690
propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate
CID 93251792
propan-2-yl 2-chloro-2-hydroxyacetate
CID 174315880
propan-2-yl (2S)-2-aminopropanoate
CID 13089460
propan-2-yl 2-aminopropanoate
CID 11804791
dipropan-2-yl 2-(3-hydroxybutan-2-yl)propanedioate
CID 113360243
propan-2-yl acetate;hydrochloride
CID 87336432
propan-2-yl (3R)-2-hydroxy-3-methylpentanoate
CID 174795059
propan-2-yl (2S)-2-hydroxy-4-methylpentanoate
CID 87171732
propan-2-yl (2R)-3-amino-2-methylbutanoate
CID 154999103

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2-hydroxy-2-[(1R)-1-hydroxy-2-oxo-2-propan-2-yloxyethyl]sulfanylacetate?
The IUPAC name of propan-2-yl (2R)-2-hydroxy-2-[(1R)-1-hydroxy-2-oxo-2-propan-2-yloxyethyl]sulfanylacetate (CID 129391094) is propan-2-yl (2R)-2-hydroxy-2-[(1R)-1-hydroxy-2-oxo-2-propan-2-yloxyethyl]sulfanylacetate.
What is the SMILES notation for propan-2-yl (2R)-2-hydroxy-2-[(1R)-1-hydroxy-2-oxo-2-propan-2-yloxyethyl]sulfanylacetate?
The canonical SMILES for propan-2-yl (2R)-2-hydroxy-2-[(1R)-1-hydroxy-2-oxo-2-propan-2-yloxyethyl]sulfanylacetate is CC(C)OC(=O)[C@H](O)S[C@@H](O)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (2R)-2-hydroxy-2-[(1R)-1-hydroxy-2-oxo-2-propan-2-yloxyethyl]sulfanylacetate?
The InChIKey is VZTSCGWDKBJGPK-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18O6S/c1-5(2)15-7(11)9(13)17-10(14)8(12)16-6(3)4/h5-6,9-10,13-14H,1-4H3/t9-,10-/m1/s1.
What are the key properties of propan-2-yl (2R)-2-hydroxy-2-[(1R)-1-hydroxy-2-oxo-2-propan-2-yloxyethyl]sulfanylacetate?
propan-2-yl (2R)-2-hydroxy-2-[(1R)-1-hydroxy-2-oxo-2-propan-2-yloxyethyl]sulfanylacetate has a molecular weight of 266.31 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2-hydroxy-2-[(1R)-1-hydroxy-2-oxo-2-propan-2-yloxyethyl]sulfanylacetate is sourced from PubChem (CID 129391094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).