[(2R,3R,4S,5S)-4-hydroxy-3-pentan-3-yloxy-5-phenylmethoxyoxolan-2-yl]methyl acetate

C19H28O6 — CID 102343132

IUPAC[(2R,3R,4S,5S)-4-hydroxy-3-pentan-3-yloxy-5-phenylmethoxyoxolan-2-yl]methyl acetate
SMILESCCC(CC)O[C@@H]1[C@H](O)[C@@H](OCc2ccccc2)O[C@@H]1COC(C)=O
InChIInChI=1S/C19H28O6/c1-4-15(5-2)24-18-16(12-22-13(3)20)25-19(17(18)21)23-11-14-9-7-6-8-10-14/h6-10,15-19,21H,4-5,11-12H2,1-3H3/t16-,17+,18+,19+/m1/s1
InChIKeyPCIQMAKCZVGDTN-XWSJACJDSA-N
MW352.43 g/mol
LogP2.43
Rot. Bonds9

About [(2R,3R,4S,5S)-4-hydroxy-3-pentan-3-yloxy-5-phenylmethoxyoxolan-2-yl]methyl acetate

[(2R,3R,4S,5S)-4-hydroxy-3-pentan-3-yloxy-5-phenylmethoxyoxolan-2-yl]methyl acetate (PubChem CID 102343132) has the molecular formula C19H28O6 and a molecular weight of 352.43 g/mol. Its IUPAC name is [(2R,3R,4S,5S)-4-hydroxy-3-pentan-3-yloxy-5-phenylmethoxyoxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5S)-4-hydroxy-3-pentan-3-yloxy-5-phenylmethoxyoxolan-2-yl]methyl acetate
PubChem CID102343132
Molecular FormulaC19H28O6
Molecular Weight352.43 g/mol
Exact Mass352.19
IUPAC Name[(2R,3R,4S,5S)-4-hydroxy-3-pentan-3-yloxy-5-phenylmethoxyoxolan-2-yl]methyl acetate
SMILESCCC(CC)O[C@@H]1[C@H](O)[C@@H](OCc2ccccc2)O[C@@H]1COC(C)=O
InChIInChI=1S/C19H28O6/c1-4-15(5-2)24-18-16(12-22-13(3)20)25-19(17(18)21)23-11-14-9-7-6-8-10-14/h6-10,15-19,21H,4-5,11-12H2,1-3H3/t16-,17+,18+,19+/m1/s1
InChIKeyPCIQMAKCZVGDTN-XWSJACJDSA-N
XLogP2.43
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,3R,4S,5S,6S)-4-acetyloxy-3,5-dihydroxy-6-phenylmethoxyoxan-2-yl]methyl acetate
CID 100933609
[(2S,3R,4S,5S,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 91699912
[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methoxy-3-phenylmethoxyoxan-2-yl]methyl acetate
CID 101415986
[(2R,3R,4R,5S)-5-acetyloxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl acetate
CID 134882849
[(2R,3S,4S,5R,6R)-6-acetyloxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 12900869
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3S,4S,5R,6S)-4-hydroxy-3,5,6-tris(phenylmethoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate
CID 67943710
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2R,3S,4S,5R,6R)-4-hydroxy-3,5,6-tris(phenylmethoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate
CID 56618946
[(3S,4S,6R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 153310904
[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-phenylmethoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 23246983
[(2R,3R,4S,5R,6R)-6-chloro-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 11016689
methyl (2S)-2-[(2S,4S,5S)-6-(acetyloxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate
CID 170518379
[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[(1R,2S,3S,4R,5R,6S)-2-hydroxy-3,4,5,6-tetrakis(phenylmethoxy)cyclohexyl]oxyoxan-2-yl]methyl acetate
CID 25268305

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S)-4-hydroxy-3-pentan-3-yloxy-5-phenylmethoxyoxolan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4S,5S)-4-hydroxy-3-pentan-3-yloxy-5-phenylmethoxyoxolan-2-yl]methyl acetate (CID 102343132) is [(2R,3R,4S,5S)-4-hydroxy-3-pentan-3-yloxy-5-phenylmethoxyoxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4S,5S)-4-hydroxy-3-pentan-3-yloxy-5-phenylmethoxyoxolan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4S,5S)-4-hydroxy-3-pentan-3-yloxy-5-phenylmethoxyoxolan-2-yl]methyl acetate is CCC(CC)O[C@@H]1[C@H](O)[C@@H](OCc2ccccc2)O[C@@H]1COC(C)=O.
What is the InChIKey of [(2R,3R,4S,5S)-4-hydroxy-3-pentan-3-yloxy-5-phenylmethoxyoxolan-2-yl]methyl acetate?
The InChIKey is PCIQMAKCZVGDTN-XWSJACJDSA-N. The full InChI is InChI=1S/C19H28O6/c1-4-15(5-2)24-18-16(12-22-13(3)20)25-19(17(18)21)23-11-14-9-7-6-8-10-14/h6-10,15-19,21H,4-5,11-12H2,1-3H3/t16-,17+,18+,19+/m1/s1.
What are the key properties of [(2R,3R,4S,5S)-4-hydroxy-3-pentan-3-yloxy-5-phenylmethoxyoxolan-2-yl]methyl acetate?
[(2R,3R,4S,5S)-4-hydroxy-3-pentan-3-yloxy-5-phenylmethoxyoxolan-2-yl]methyl acetate has a molecular weight of 352.43 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5S)-4-hydroxy-3-pentan-3-yloxy-5-phenylmethoxyoxolan-2-yl]methyl acetate is sourced from PubChem (CID 102343132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).