[(2S,3S,4R)-5-acetyloxy-2-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran-3-yl] acetate

C17H20O6 — CID 10892553

IUPAC[(2S,3S,4R)-5-acetyloxy-2-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran-3-yl] acetate
SMILESCC(=O)OC1=CO[C@@H](C)[C@H](OC(C)=O)[C@H]1OCc1ccccc1
InChIInChI=1S/C17H20O6/c1-11-16(23-13(3)19)17(15(10-20-11)22-12(2)18)21-9-14-7-5-4-6-8-14/h4-8,10-11,16-17H,9H2,1-3H3/t11-,16-,17-/m0/s1
InChIKeyKUEYHDHDGOQXIC-GOPGUHFVSA-N
MW320.34 g/mol
LogP2.33
Rot. Bonds5

About [(2S,3S,4R)-5-acetyloxy-2-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran-3-yl] acetate

[(2S,3S,4R)-5-acetyloxy-2-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran-3-yl] acetate (PubChem CID 10892553) has the molecular formula C17H20O6 and a molecular weight of 320.34 g/mol. Its IUPAC name is [(2S,3S,4R)-5-acetyloxy-2-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3S,4R)-5-acetyloxy-2-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran-3-yl] acetate
PubChem CID10892553
Molecular FormulaC17H20O6
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name[(2S,3S,4R)-5-acetyloxy-2-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran-3-yl] acetate
SMILESCC(=O)OC1=CO[C@@H](C)[C@H](OC(C)=O)[C@H]1OCc1ccccc1
InChIInChI=1S/C17H20O6/c1-11-16(23-13(3)19)17(15(10-20-11)22-12(2)18)21-9-14-7-5-4-6-8-14/h4-8,10-11,16-17H,9H2,1-3H3/t11-,16-,17-/m0/s1
InChIKeyKUEYHDHDGOQXIC-GOPGUHFVSA-N
XLogP2.33
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S,3S,4R)-5-acetyloxy-2-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran-3-yl] acetate with MolForge

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Related Compounds

[(3S,4R,5R,6S)-2-hydroxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-yl] acetate
CID 14505002
[(2R,4S,5S)-2-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 70841959
[(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-phenylmethoxyoxan-3-yl] acetate
CID 2747755
[(2S,3S,4R,5R,6S)-6-chloro-2-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 15663134
[(2S,3R,4R,5S,6S)-2-acetyloxy-5-hydroxy-6-methyl-4-phenylmethoxyoxan-3-yl] acetate
CID 91335694
[(1S,2R,3R,4S,5R,6S)-3-hydroxy-2,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] acetate
CID 10674783
[(2R,3S,5R,6S)-2,6-dihydroxy-3,4,5-tris(phenylmethoxy)cyclohexyl] acetate
CID 100921480
[(2S,3S,5R,6S)-2,6-dihydroxy-3,4,5-tris(phenylmethoxy)cyclohexyl] acetate
CID 100921481
[(2R,3S,4R,5R,6R)-2,6-diacetyloxy-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 11754556
[(2S,3R,4R,5S,6S)-6-methyl-2-methylsulfanyl-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 14131744
[(1S,2S,3R,4S,5R,6S)-2,3,5-trihydroxy-4,6-bis(phenylmethoxy)cyclohexyl] acetate
CID 101210421
[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 155351672

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R)-5-acetyloxy-2-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran-3-yl] acetate?
The IUPAC name of [(2S,3S,4R)-5-acetyloxy-2-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran-3-yl] acetate (CID 10892553) is [(2S,3S,4R)-5-acetyloxy-2-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran-3-yl] acetate.
What is the SMILES notation for [(2S,3S,4R)-5-acetyloxy-2-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran-3-yl] acetate?
The canonical SMILES for [(2S,3S,4R)-5-acetyloxy-2-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran-3-yl] acetate is CC(=O)OC1=CO[C@@H](C)[C@H](OC(C)=O)[C@H]1OCc1ccccc1.
What is the InChIKey of [(2S,3S,4R)-5-acetyloxy-2-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran-3-yl] acetate?
The InChIKey is KUEYHDHDGOQXIC-GOPGUHFVSA-N. The full InChI is InChI=1S/C17H20O6/c1-11-16(23-13(3)19)17(15(10-20-11)22-12(2)18)21-9-14-7-5-4-6-8-14/h4-8,10-11,16-17H,9H2,1-3H3/t11-,16-,17-/m0/s1.
What are the key properties of [(2S,3S,4R)-5-acetyloxy-2-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran-3-yl] acetate?
[(2S,3S,4R)-5-acetyloxy-2-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran-3-yl] acetate has a molecular weight of 320.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R)-5-acetyloxy-2-methyl-4-phenylmethoxy-3,4-dihydro-2H-pyran-3-yl] acetate is sourced from PubChem (CID 10892553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).