[(4S)-4-acetyloxy-5-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] acetate

C10H16O6S — CID 71171283

IUPAC[(4S)-4-acetyloxy-5-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] acetate
SMILESCSCC1OC(O)[C@@H](OC(C)=O)C1OC(C)=O
InChIInChI=1S/C10H16O6S/c1-5(11)14-8-7(4-17-3)16-10(13)9(8)15-6(2)12/h7-10,13H,4H2,1-3H3/t7?,8?,9-,10?/m0/s1
InChIKeyKALDDANHPUGLSW-HTEYAMCKSA-N
MW264.30 g/mol
LogP-0.07
Rot. Bonds4

About [(4S)-4-acetyloxy-5-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] acetate

[(4S)-4-acetyloxy-5-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] acetate (PubChem CID 71171283) has the molecular formula C10H16O6S and a molecular weight of 264.30 g/mol. Its IUPAC name is [(4S)-4-acetyloxy-5-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] acetate.

Molecular Properties

Compound Name[(4S)-4-acetyloxy-5-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] acetate
PubChem CID71171283
Molecular FormulaC10H16O6S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Name[(4S)-4-acetyloxy-5-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] acetate
SMILESCSCC1OC(O)[C@@H](OC(C)=O)C1OC(C)=O
InChIInChI=1S/C10H16O6S/c1-5(11)14-8-7(4-17-3)16-10(13)9(8)15-6(2)12/h7-10,13H,4H2,1-3H3/t7?,8?,9-,10?/m0/s1
InChIKeyKALDDANHPUGLSW-HTEYAMCKSA-N
XLogP-0.07
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-acetyloxy-5-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] acetate?
The IUPAC name of [(4S)-4-acetyloxy-5-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] acetate (CID 71171283) is [(4S)-4-acetyloxy-5-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] acetate.
What is the SMILES notation for [(4S)-4-acetyloxy-5-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] acetate?
The canonical SMILES for [(4S)-4-acetyloxy-5-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] acetate is CSCC1OC(O)[C@@H](OC(C)=O)C1OC(C)=O.
What is the InChIKey of [(4S)-4-acetyloxy-5-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] acetate?
The InChIKey is KALDDANHPUGLSW-HTEYAMCKSA-N. The full InChI is InChI=1S/C10H16O6S/c1-5(11)14-8-7(4-17-3)16-10(13)9(8)15-6(2)12/h7-10,13H,4H2,1-3H3/t7?,8?,9-,10?/m0/s1.
What are the key properties of [(4S)-4-acetyloxy-5-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] acetate?
[(4S)-4-acetyloxy-5-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] acetate has a molecular weight of 264.30 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-acetyloxy-5-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] acetate is sourced from PubChem (CID 71171283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).