(2R,3S)-2-[(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-2,3-dihydropyran-6-one

C16H18O5 — CID 10935151

IUPAC(2R,3S)-2-[(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-2,3-dihydropyran-6-one
SMILESCC1(C)O[C@@H]([C@@H]2OC(=O)C=C[C@@H]2O)[C@@H](c2ccccc2)O1
InChIInChI=1S/C16H18O5/c1-16(2)20-13(10-6-4-3-5-7-10)15(21-16)14-11(17)8-9-12(18)19-14/h3-9,11,13-15,17H,1-2H3/t11-,13+,14+,15+/m0/s1
InChIKeySYUDKFMEJHVKRY-ZGKBOVNRSA-N
MW290.31 g/mol
LogP1.72
Rot. Bonds2

About (2R,3S)-2-[(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-2,3-dihydropyran-6-one

(2R,3S)-2-[(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-2,3-dihydropyran-6-one (PubChem CID 10935151) has the molecular formula C16H18O5 and a molecular weight of 290.31 g/mol. Its IUPAC name is (2R,3S)-2-[(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R,3S)-2-[(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-2,3-dihydropyran-6-one
PubChem CID10935151
Molecular FormulaC16H18O5
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name(2R,3S)-2-[(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-2,3-dihydropyran-6-one
SMILESCC1(C)O[C@@H]([C@@H]2OC(=O)C=C[C@@H]2O)[C@@H](c2ccccc2)O1
InChIInChI=1S/C16H18O5/c1-16(2)20-13(10-6-4-3-5-7-10)15(21-16)14-11(17)8-9-12(18)19-14/h3-9,11,13-15,17H,1-2H3/t11-,13+,14+,15+/m0/s1
InChIKeySYUDKFMEJHVKRY-ZGKBOVNRSA-N
XLogP1.72
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3S)-2-[(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-2,3-dihydropyran-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R,3aR,7aS)-3-hydroxy-2-phenyl-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-5-one
CID 51415619
[(4R,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-phenylmethanone
CID 12023939
(3aS,4S,7S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4,7-diol
CID 14185483
[(3aR,4S,7S,7aR)-7-hydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl] benzoate
CID 11173791
(3aS,4R,7aR)-2,2-dimethyl-7,7-diphenyl-4,7a-dihydro-3aH-1,3-benzodioxol-4-ol
CID 10358761
[(3aR,4R,6R,6aS)-2,2-dimethyl-4-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl benzoate
CID 73056661
(4R,7Z,9R,10S,13Z,15R,16S)-9,15-dihydroxy-10,16-dimethyl-4-phenyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
CID 142724544
(3aR,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 102136876
(1S,2R,6S,10S)-4,4,12,12-tetramethyl-3,5,11,13-tetraoxatricyclo[8.3.0.02,6]tridec-8-en-7-one
CID 10858009
[(3aS,6aR)-2,2-dimethyl-4-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate
CID 177364849
(1R)-1-[(3aS,4S,6S,6aR)-2,2-dimethyl-6-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethane-1,2-diol
CID 102307668
[(1S,3R,7R,9S)-5,5,11,11-tetramethyl-8-oxo-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl] benzoate
CID 139184890

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-2,3-dihydropyran-6-one?
The IUPAC name of (2R,3S)-2-[(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-2,3-dihydropyran-6-one (CID 10935151) is (2R,3S)-2-[(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R,3S)-2-[(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-2,3-dihydropyran-6-one?
The canonical SMILES for (2R,3S)-2-[(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-2,3-dihydropyran-6-one is CC1(C)O[C@@H]([C@@H]2OC(=O)C=C[C@@H]2O)[C@@H](c2ccccc2)O1.
What is the InChIKey of (2R,3S)-2-[(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-2,3-dihydropyran-6-one?
The InChIKey is SYUDKFMEJHVKRY-ZGKBOVNRSA-N. The full InChI is InChI=1S/C16H18O5/c1-16(2)20-13(10-6-4-3-5-7-10)15(21-16)14-11(17)8-9-12(18)19-14/h3-9,11,13-15,17H,1-2H3/t11-,13+,14+,15+/m0/s1.
What are the key properties of (2R,3S)-2-[(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-2,3-dihydropyran-6-one?
(2R,3S)-2-[(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-2,3-dihydropyran-6-one has a molecular weight of 290.31 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[(4R,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-hydroxy-2,3-dihydropyran-6-one is sourced from PubChem (CID 10935151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).