2-[(2R,3R,4R)-4-hydroxy-6-oxo-2-(phenylmethoxymethyl)oxan-3-yl]acetic acid

C15H18O6 — CID 70623246

IUPAC2-[(2R,3R,4R)-4-hydroxy-6-oxo-2-(phenylmethoxymethyl)oxan-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1[C@H](O)CC(=O)O[C@H]1COCc1ccccc1
InChIInChI=1S/C15H18O6/c16-12-7-15(19)21-13(11(12)6-14(17)18)9-20-8-10-4-2-1-3-5-10/h1-5,11-13,16H,6-9H2,(H,17,18)/t11-,12-,13+/m1/s1
InChIKeyDWBVXGHDLMBFRT-UPJWGTAASA-N
MW294.30 g/mol
LogP0.97
Rot. Bonds6

About 2-[(2R,3R,4R)-4-hydroxy-6-oxo-2-(phenylmethoxymethyl)oxan-3-yl]acetic acid

2-[(2R,3R,4R)-4-hydroxy-6-oxo-2-(phenylmethoxymethyl)oxan-3-yl]acetic acid (PubChem CID 70623246) has the molecular formula C15H18O6 and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-[(2R,3R,4R)-4-hydroxy-6-oxo-2-(phenylmethoxymethyl)oxan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,3R,4R)-4-hydroxy-6-oxo-2-(phenylmethoxymethyl)oxan-3-yl]acetic acid
PubChem CID70623246
Molecular FormulaC15H18O6
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Name2-[(2R,3R,4R)-4-hydroxy-6-oxo-2-(phenylmethoxymethyl)oxan-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1[C@H](O)CC(=O)O[C@H]1COCc1ccccc1
InChIInChI=1S/C15H18O6/c16-12-7-15(19)21-13(11(12)6-14(17)18)9-20-8-10-4-2-1-3-5-10/h1-5,11-13,16H,6-9H2,(H,17,18)/t11-,12-,13+/m1/s1
InChIKeyDWBVXGHDLMBFRT-UPJWGTAASA-N
XLogP0.97
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 10686548
(1R,3aS,4S,7aR)-4-methyl-1-(phenylmethoxymethyl)-1,3,3a,4,7,7a-hexahydrofuro[3,4-c]pyran-6-one
CID 11807964
(4R,5S,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-one
CID 10724297
(3aR,4S,5S,6R,6aR)-6-bromo-5-hydroxy-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11198614
(3R,4S)-3-methyl-4-(phenylmethoxymethyl)oxetan-2-one
CID 134988868
3-hydroxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one
CID 142842432
2-[6-[5-amino-4,6-dimethyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]acetic acid
CID 59937966
2-[(2R,3R,4R,5R,6R)-4-acetyloxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetic acid
CID 11226405
(3R,4S,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 166718283
(4R,5R)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-ol
CID 159970118
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460
2-[(2R,3S,4R,5S,6R)-3,4-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]acetamide
CID 158265028

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4R)-4-hydroxy-6-oxo-2-(phenylmethoxymethyl)oxan-3-yl]acetic acid?
The IUPAC name of 2-[(2R,3R,4R)-4-hydroxy-6-oxo-2-(phenylmethoxymethyl)oxan-3-yl]acetic acid (CID 70623246) is 2-[(2R,3R,4R)-4-hydroxy-6-oxo-2-(phenylmethoxymethyl)oxan-3-yl]acetic acid.
What is the SMILES notation for 2-[(2R,3R,4R)-4-hydroxy-6-oxo-2-(phenylmethoxymethyl)oxan-3-yl]acetic acid?
The canonical SMILES for 2-[(2R,3R,4R)-4-hydroxy-6-oxo-2-(phenylmethoxymethyl)oxan-3-yl]acetic acid is O=C(O)C[C@@H]1[C@H](O)CC(=O)O[C@H]1COCc1ccccc1.
What is the InChIKey of 2-[(2R,3R,4R)-4-hydroxy-6-oxo-2-(phenylmethoxymethyl)oxan-3-yl]acetic acid?
The InChIKey is DWBVXGHDLMBFRT-UPJWGTAASA-N. The full InChI is InChI=1S/C15H18O6/c16-12-7-15(19)21-13(11(12)6-14(17)18)9-20-8-10-4-2-1-3-5-10/h1-5,11-13,16H,6-9H2,(H,17,18)/t11-,12-,13+/m1/s1.
What are the key properties of 2-[(2R,3R,4R)-4-hydroxy-6-oxo-2-(phenylmethoxymethyl)oxan-3-yl]acetic acid?
2-[(2R,3R,4R)-4-hydroxy-6-oxo-2-(phenylmethoxymethyl)oxan-3-yl]acetic acid has a molecular weight of 294.30 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4R)-4-hydroxy-6-oxo-2-(phenylmethoxymethyl)oxan-3-yl]acetic acid is sourced from PubChem (CID 70623246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).