(3R,4R,5S)-4-hydroxy-5-[(1R)-1-hydroxyethyl]-3-phenylmethoxyoxolan-2-one

C13H16O5 — CID 139605652

IUPAC(3R,4R,5S)-4-hydroxy-5-[(1R)-1-hydroxyethyl]-3-phenylmethoxyoxolan-2-one
SMILESC[C@@H](O)[C@@H]1OC(=O)[C@H](OCc2ccccc2)[C@@H]1O
InChIInChI=1S/C13H16O5/c1-8(14)11-10(15)12(13(16)18-11)17-7-9-5-3-2-4-6-9/h2-6,8,10-12,14-15H,7H2,1H3/t8-,10-,11+,12-/m1/s1
InChIKeyCYDBMZRWBUQVHY-KXGXSXBTSA-N
MW252.27 g/mol
LogP0.24
Rot. Bonds4

About (3R,4R,5S)-4-hydroxy-5-[(1R)-1-hydroxyethyl]-3-phenylmethoxyoxolan-2-one

(3R,4R,5S)-4-hydroxy-5-[(1R)-1-hydroxyethyl]-3-phenylmethoxyoxolan-2-one (PubChem CID 139605652) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is (3R,4R,5S)-4-hydroxy-5-[(1R)-1-hydroxyethyl]-3-phenylmethoxyoxolan-2-one.

Molecular Properties

Compound Name(3R,4R,5S)-4-hydroxy-5-[(1R)-1-hydroxyethyl]-3-phenylmethoxyoxolan-2-one
PubChem CID139605652
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Name(3R,4R,5S)-4-hydroxy-5-[(1R)-1-hydroxyethyl]-3-phenylmethoxyoxolan-2-one
SMILESC[C@@H](O)[C@@H]1OC(=O)[C@H](OCc2ccccc2)[C@@H]1O
InChIInChI=1S/C13H16O5/c1-8(14)11-10(15)12(13(16)18-11)17-7-9-5-3-2-4-6-9/h2-6,8,10-12,14-15H,7H2,1H3/t8-,10-,11+,12-/m1/s1
InChIKeyCYDBMZRWBUQVHY-KXGXSXBTSA-N
XLogP0.24
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,4R,5S)-4-hydroxy-5-[(1R)-1-hydroxyethyl]-3-phenylmethoxyoxolan-2-one with MolForge

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Related Compounds

methyl (2S)-2-hydroxy-2-[(2R,3S,4R)-5-oxo-3,4-bis(phenylmethoxy)oxolan-2-yl]acetate
CID 102573561
(3R,4S)-4-(1-hydroxyethyl)-3-phenylmethoxyazetidin-2-one
CID 11775681
3,4,5-tris(phenylmethoxy)oxolan-2-one
CID 85325840
(3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one
CID 164662534
(3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-one
CID 102207627
(3S,4S)-4-(2-phenylethyl)-3-phenylmethoxyoxetan-2-one
CID 15395993
(1R,4R,7R,8R)-6,8-dihydroxy-7-phenylmethoxy-2,5-dioxabicyclo[2.2.2]octan-3-one
CID 122395977
1-[(3S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanol
CID 134423079
[(2R,3R,4S,5R)-6-oxo-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 155351672
(3R,4R)-4-(4-hydroxybutyl)-3-phenylmethoxyoxetan-2-one
CID 11097002
4-hydroxy-5-(1-hydroxyethyl)-3-methyloxolan-2-one
CID 13237842
1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol
CID 123779801

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-4-hydroxy-5-[(1R)-1-hydroxyethyl]-3-phenylmethoxyoxolan-2-one?
The IUPAC name of (3R,4R,5S)-4-hydroxy-5-[(1R)-1-hydroxyethyl]-3-phenylmethoxyoxolan-2-one (CID 139605652) is (3R,4R,5S)-4-hydroxy-5-[(1R)-1-hydroxyethyl]-3-phenylmethoxyoxolan-2-one.
What is the SMILES notation for (3R,4R,5S)-4-hydroxy-5-[(1R)-1-hydroxyethyl]-3-phenylmethoxyoxolan-2-one?
The canonical SMILES for (3R,4R,5S)-4-hydroxy-5-[(1R)-1-hydroxyethyl]-3-phenylmethoxyoxolan-2-one is C[C@@H](O)[C@@H]1OC(=O)[C@H](OCc2ccccc2)[C@@H]1O.
What is the InChIKey of (3R,4R,5S)-4-hydroxy-5-[(1R)-1-hydroxyethyl]-3-phenylmethoxyoxolan-2-one?
The InChIKey is CYDBMZRWBUQVHY-KXGXSXBTSA-N. The full InChI is InChI=1S/C13H16O5/c1-8(14)11-10(15)12(13(16)18-11)17-7-9-5-3-2-4-6-9/h2-6,8,10-12,14-15H,7H2,1H3/t8-,10-,11+,12-/m1/s1.
What are the key properties of (3R,4R,5S)-4-hydroxy-5-[(1R)-1-hydroxyethyl]-3-phenylmethoxyoxolan-2-one?
(3R,4R,5S)-4-hydroxy-5-[(1R)-1-hydroxyethyl]-3-phenylmethoxyoxolan-2-one has a molecular weight of 252.27 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-4-hydroxy-5-[(1R)-1-hydroxyethyl]-3-phenylmethoxyoxolan-2-one is sourced from PubChem (CID 139605652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).