[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate

C28H28O7 — CID 155351672

IUPAC[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
SMILESCC(=O)O[C@@H]1OC(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C28H28O7/c1-20(29)34-28-26(33-19-23-15-9-4-10-16-23)24(31-17-21-11-5-2-6-12-21)25(27(30)35-28)32-18-22-13-7-3-8-14-22/h2-16,24-26,28H,17-19H2,1H3/t24-,25-,26-,28-/m1/s1
InChIKeyLVMVMSIEJBTVBQ-IYUNARRTSA-N
MW476.53 g/mol
LogP4.19
Rot. Bonds10

About [(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate

[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate (PubChem CID 155351672) has the molecular formula C28H28O7 and a molecular weight of 476.53 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
PubChem CID155351672
Molecular FormulaC28H28O7
Molecular Weight476.53 g/mol
Exact Mass476.18
IUPAC Name[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
SMILESCC(=O)O[C@@H]1OC(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C28H28O7/c1-20(29)34-28-26(33-19-23-15-9-4-10-16-23)24(31-17-21-11-5-2-6-12-21)25(27(30)35-28)32-18-22-13-7-3-8-14-22/h2-16,24-26,28H,17-19H2,1H3/t24-,25-,26-,28-/m1/s1
InChIKeyLVMVMSIEJBTVBQ-IYUNARRTSA-N
XLogP4.19
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate with MolForge

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Related Compounds

3,4,5-tris(phenylmethoxy)oxolan-2-one
CID 85325840
[(2R,3S,4R,5R,6R)-2,6-diacetyloxy-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 11754556
(3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one
CID 164662534
[3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 73019389
[(2R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl] acetate
CID 91180261
[(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl] acetate
CID 11081066
[(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,5S,6R)-6-ethenyl-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 101254952
[(2R,3S,4S,5R,6R)-2-acetyloxy-6-ethyl-5-methyl-3-phenylmethoxyoxan-4-yl] acetate
CID 118885700
[(2S,3R,4R,5S,6S)-2-acetyloxy-5-hydroxy-6-methyl-4-phenylmethoxyoxan-3-yl] acetate
CID 91335694
methyl (2S)-2-hydroxy-2-[(2R,3S,4R)-5-oxo-3,4-bis(phenylmethoxy)oxolan-2-yl]acetate
CID 102573561

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate?
The IUPAC name of [(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate (CID 155351672) is [(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate.
What is the SMILES notation for [(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate?
The canonical SMILES for [(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate is CC(=O)O[C@@H]1OC(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of [(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate?
The InChIKey is LVMVMSIEJBTVBQ-IYUNARRTSA-N. The full InChI is InChI=1S/C28H28O7/c1-20(29)34-28-26(33-19-23-15-9-4-10-16-23)24(31-17-21-11-5-2-6-12-21)25(27(30)35-28)32-18-22-13-7-3-8-14-22/h2-16,24-26,28H,17-19H2,1H3/t24-,25-,26-,28-/m1/s1.
What are the key properties of [(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate?
[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate has a molecular weight of 476.53 g/mol, XLogP of 4.19, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate is sourced from PubChem (CID 155351672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).