ethyl 2-[(3R,4R,5R)-2-ethoxy-5-(1-hydroxyethyl)-4-phenylmethoxyoxolan-3-yl]acetate

C19H28O6 — CID 101049456

IUPACethyl 2-[(3R,4R,5R)-2-ethoxy-5-(1-hydroxyethyl)-4-phenylmethoxyoxolan-3-yl]acetate
SMILESCCOC(=O)C[C@H]1C(OCC)O[C@H](C(C)O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C19H28O6/c1-4-22-16(21)11-15-18(24-12-14-9-7-6-8-10-14)17(13(3)20)25-19(15)23-5-2/h6-10,13,15,17-20H,4-5,11-12H2,1-3H3/t13?,15-,17-,18-,19?/m1/s1
InChIKeySKOSQZATKBIKBF-KQKBAVDYSA-N
MW352.43 g/mol
LogP2.28
Rot. Bonds9

About ethyl 2-[(3R,4R,5R)-2-ethoxy-5-(1-hydroxyethyl)-4-phenylmethoxyoxolan-3-yl]acetate

ethyl 2-[(3R,4R,5R)-2-ethoxy-5-(1-hydroxyethyl)-4-phenylmethoxyoxolan-3-yl]acetate (PubChem CID 101049456) has the molecular formula C19H28O6 and a molecular weight of 352.43 g/mol. Its IUPAC name is ethyl 2-[(3R,4R,5R)-2-ethoxy-5-(1-hydroxyethyl)-4-phenylmethoxyoxolan-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(3R,4R,5R)-2-ethoxy-5-(1-hydroxyethyl)-4-phenylmethoxyoxolan-3-yl]acetate
PubChem CID101049456
Molecular FormulaC19H28O6
Molecular Weight352.43 g/mol
Exact Mass352.19
IUPAC Nameethyl 2-[(3R,4R,5R)-2-ethoxy-5-(1-hydroxyethyl)-4-phenylmethoxyoxolan-3-yl]acetate
SMILESCCOC(=O)C[C@H]1C(OCC)O[C@H](C(C)O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C19H28O6/c1-4-22-16(21)11-15-18(24-12-14-9-7-6-8-10-14)17(13(3)20)25-19(15)23-5-2/h6-10,13,15,17-20H,4-5,11-12H2,1-3H3/t13?,15-,17-,18-,19?/m1/s1
InChIKeySKOSQZATKBIKBF-KQKBAVDYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(3R,4R,5R)-2-ethoxy-5-(1-hydroxyethyl)-4-phenylmethoxyoxolan-3-yl]acetate with MolForge

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Related Compounds

1-[(3S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanol
CID 134423079
1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol
CID 123779801
ethyl 2-[(2S,3S,4R,5S,6R)-4-acetyloxy-6-(acetyloxymethyl)-3,5-bis(phenylmethoxy)oxan-2-yl]acetate
CID 102315981
ethyl 2-[[(2R,3R,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methoxy]acetate
CID 142688383
[(2R,3S,4R,5R,6R)-2,6-diacetyloxy-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 11754556
4-O-benzyl 1-O-ethyl (2S)-2-hydroxybutanedioate
CID 102323442
(1S)-1-[(3aR,5R,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol
CID 159325114
(1S)-1-[(4S,6R)-2,2-dimethyl-4-phenylmethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethanol
CID 177392606
ethyl (2S,4R)-2-(2-ethoxy-2-oxoethyl)-4-phenylmethoxypyrrolidine-1-carboxylate
CID 10735531
ethyl (3R)-3-[(4S,5R,6R)-2,2-dimethyl-5-phenylmethoxy-6-[(R)-phenyl(phenylmethoxy)methyl]-1,3-dioxan-4-yl]-3-hydroxypropanoate
CID 11720766
benzyl 3-methylbutanoate;ethyl 3-methylbutanoate;phenylmethanol
CID 159024210
ethyl (2S,3R)-2,3-dihydroxy-5-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pentanoate
CID 73056054

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3R,4R,5R)-2-ethoxy-5-(1-hydroxyethyl)-4-phenylmethoxyoxolan-3-yl]acetate?
The IUPAC name of ethyl 2-[(3R,4R,5R)-2-ethoxy-5-(1-hydroxyethyl)-4-phenylmethoxyoxolan-3-yl]acetate (CID 101049456) is ethyl 2-[(3R,4R,5R)-2-ethoxy-5-(1-hydroxyethyl)-4-phenylmethoxyoxolan-3-yl]acetate.
What is the SMILES notation for ethyl 2-[(3R,4R,5R)-2-ethoxy-5-(1-hydroxyethyl)-4-phenylmethoxyoxolan-3-yl]acetate?
The canonical SMILES for ethyl 2-[(3R,4R,5R)-2-ethoxy-5-(1-hydroxyethyl)-4-phenylmethoxyoxolan-3-yl]acetate is CCOC(=O)C[C@H]1C(OCC)O[C@H](C(C)O)[C@@H]1OCc1ccccc1.
What is the InChIKey of ethyl 2-[(3R,4R,5R)-2-ethoxy-5-(1-hydroxyethyl)-4-phenylmethoxyoxolan-3-yl]acetate?
The InChIKey is SKOSQZATKBIKBF-KQKBAVDYSA-N. The full InChI is InChI=1S/C19H28O6/c1-4-22-16(21)11-15-18(24-12-14-9-7-6-8-10-14)17(13(3)20)25-19(15)23-5-2/h6-10,13,15,17-20H,4-5,11-12H2,1-3H3/t13?,15-,17-,18-,19?/m1/s1.
What are the key properties of ethyl 2-[(3R,4R,5R)-2-ethoxy-5-(1-hydroxyethyl)-4-phenylmethoxyoxolan-3-yl]acetate?
ethyl 2-[(3R,4R,5R)-2-ethoxy-5-(1-hydroxyethyl)-4-phenylmethoxyoxolan-3-yl]acetate has a molecular weight of 352.43 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3R,4R,5R)-2-ethoxy-5-(1-hydroxyethyl)-4-phenylmethoxyoxolan-3-yl]acetate is sourced from PubChem (CID 101049456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).