[(2R,3S,5S)-3-(methoxymethoxy)-5-phenylmethoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate

C19H28O6 — CID 10784182

IUPAC[(2R,3S,5S)-3-(methoxymethoxy)-5-phenylmethoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
SMILESCOCO[C@H]1C[C@@H](OCc2ccccc2)O[C@@H]1COC(=O)C(C)(C)C
InChIInChI=1S/C19H28O6/c1-19(2,3)18(20)23-12-16-15(24-13-21-4)10-17(25-16)22-11-14-8-6-5-7-9-14/h5-9,15-17H,10-13H2,1-4H3/t15-,16+,17-/m0/s1
InChIKeyFSCMQFHPZCJECL-BBWFWOEESA-N
MW352.43 g/mol
LogP2.90
Rot. Bonds8

About [(2R,3S,5S)-3-(methoxymethoxy)-5-phenylmethoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate

[(2R,3S,5S)-3-(methoxymethoxy)-5-phenylmethoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 10784182) has the molecular formula C19H28O6 and a molecular weight of 352.43 g/mol. Its IUPAC name is [(2R,3S,5S)-3-(methoxymethoxy)-5-phenylmethoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R,3S,5S)-3-(methoxymethoxy)-5-phenylmethoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID10784182
Molecular FormulaC19H28O6
Molecular Weight352.43 g/mol
Exact Mass352.19
IUPAC Name[(2R,3S,5S)-3-(methoxymethoxy)-5-phenylmethoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
SMILESCOCO[C@H]1C[C@@H](OCc2ccccc2)O[C@@H]1COC(=O)C(C)(C)C
InChIInChI=1S/C19H28O6/c1-19(2,3)18(20)23-12-16-15(24-13-21-4)10-17(25-16)22-11-14-8-6-5-7-9-14/h5-9,15-17H,10-13H2,1-4H3/t15-,16+,17-/m0/s1
InChIKeyFSCMQFHPZCJECL-BBWFWOEESA-N
XLogP2.90
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S,4R)-4,6-dihydroxy-3-phenylmethoxyoxan-2-yl]methyl 2,2-dimethylpropanoate
CID 101033677
[(2R,3S,5R,6S)-3-(2,2-dimethylpropanoyloxy)-5-phenylmethoxy-6-prop-2-enyloxan-2-yl]methyl 2,2-dimethylpropanoate
CID 11316787
[(2R,3R,4S,5R)-3,5,6-trihydroxy-4-phenylmethoxyoxan-2-yl]methyl 2,2-dimethylpropanoate
CID 91326199
[(2R,3R,4S,5R,6S)-3,5,6-trihydroxy-4-phenylmethoxyoxan-2-yl]methyl 2,2-dimethylpropanoate
CID 90801317
(2R,3R,5R)-2-(methoxymethoxymethyl)-5-phenylmethoxyoxolan-3-ol
CID 102065732
[(2R,3S)-4-[(2R,4S,5R,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-oxo-3-phenylmethoxy-2,3-dihydropyran-2-yl]methyl 2,2-dimethylpropanoate
CID 101265064
[(2S,3S,4R,5S)-5-(2,2-dimethylpropanoyloxy)-3,6-dihydroxy-4-phenylmethoxyoxan-2-yl]methyl 2,2-dimethylpropanoate
CID 154702130
[(2R,3R,4S,6S)-3-acetyloxy-6-methoxy-4-phenylmethoxyoxan-2-yl]methyl acetate
CID 70364158
[(2R,3R,4S,5R,6R)-5-acetyloxy-6-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3,4-bis(phenylmethoxy)oxan-2-yl]methyl 2,2-dimethylpropanoate
CID 101122821
[2,2-dimethylpropanoyloxymethoxy-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 138111481
[(2R,3R,5S,6S)-5-(2,2-dimethylpropanoyloxy)-6-methoxy-4-oxo-3-phenylmethoxyoxan-2-yl]methyl 2,2-dimethylpropanoate
CID 122385720
[(2R,3S,5R)-6-hydroxy-3,5-bis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 11111826

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5S)-3-(methoxymethoxy)-5-phenylmethoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(2R,3S,5S)-3-(methoxymethoxy)-5-phenylmethoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate (CID 10784182) is [(2R,3S,5S)-3-(methoxymethoxy)-5-phenylmethoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R,3S,5S)-3-(methoxymethoxy)-5-phenylmethoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(2R,3S,5S)-3-(methoxymethoxy)-5-phenylmethoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate is COCO[C@H]1C[C@@H](OCc2ccccc2)O[C@@H]1COC(=O)C(C)(C)C.
What is the InChIKey of [(2R,3S,5S)-3-(methoxymethoxy)-5-phenylmethoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is FSCMQFHPZCJECL-BBWFWOEESA-N. The full InChI is InChI=1S/C19H28O6/c1-19(2,3)18(20)23-12-16-15(24-13-21-4)10-17(25-16)22-11-14-8-6-5-7-9-14/h5-9,15-17H,10-13H2,1-4H3/t15-,16+,17-/m0/s1.
What are the key properties of [(2R,3S,5S)-3-(methoxymethoxy)-5-phenylmethoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate?
[(2R,3S,5S)-3-(methoxymethoxy)-5-phenylmethoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 352.43 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5S)-3-(methoxymethoxy)-5-phenylmethoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 10784182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).