ethyl (2S,3S)-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropanoate

C15H26O8 — CID 23629194

IUPACethyl (2S,3S)-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropanoate
SMILESCCOC(=O)[C@@H](O)[C@H](O)[C@@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H26O8/c1-6-19-13(18)10(17)9(16)12-11(22-15(4,5)23-12)8-7-20-14(2,3)21-8/h8-12,16-17H,6-7H2,1-5H3/t8-,9+,10+,11-,12+/m1/s1
InChIKeyIFQNITCNCNOZTH-IIRVCBMXSA-N
MW334.37 g/mol
LogP-0.06
Rot. Bonds5

About ethyl (2S,3S)-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropanoate

ethyl (2S,3S)-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropanoate (PubChem CID 23629194) has the molecular formula C15H26O8 and a molecular weight of 334.37 g/mol. Its IUPAC name is ethyl (2S,3S)-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropanoate.

Molecular Properties

Compound Nameethyl (2S,3S)-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropanoate
PubChem CID23629194
Molecular FormulaC15H26O8
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Nameethyl (2S,3S)-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropanoate
SMILESCCOC(=O)[C@@H](O)[C@H](O)[C@@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H26O8/c1-6-19-13(18)10(17)9(16)12-11(22-15(4,5)23-12)8-7-20-14(2,3)21-8/h8-12,16-17H,6-7H2,1-5H3/t8-,9+,10+,11-,12+/m1/s1
InChIKeyIFQNITCNCNOZTH-IIRVCBMXSA-N
XLogP-0.06
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl (2S,3S)-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropanoate 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

octanoyl-beta-D-glucuronide
CID 127448
(5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2,3-dione
CID 54523248
(2S,3R,3aS,6aS)-2-(decoxymethyl)-3-hydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 44580177
3,4-Dihydroxy-5-(1,2,3,4-tetrahydroxybutyl)oxolan-2-one
CID 219893
Technetium-99mTc-glucoheptonate
CID 56841673
(2S,3R,3aS,6aS)-3-hydroxy-2-(nonoxymethyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 44580326
6-O-Palmitoyl-L-ascorbate
CID 44588046
[(1S)-1-[(2R,3S,3aR,6aR)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]ethyl] acetate
CID 132489970
Altenin
CID 3084174
methyl 3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methoxy-tetrahydrofuran-2-yl]propanoate
CID 49773801
[(1S)-1-[(2S,3R,3aS,6aS)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]ethyl] acetate
CID 145960625
[(1R)-1-[(2R,3S,3aR,6aR)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]ethyl] acetate
CID 145962753

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3S)-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropanoate?
The IUPAC name of ethyl (2S,3S)-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropanoate (CID 23629194) is ethyl (2S,3S)-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropanoate.
What is the SMILES notation for ethyl (2S,3S)-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropanoate?
The canonical SMILES for ethyl (2S,3S)-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropanoate is CCOC(=O)[C@@H](O)[C@H](O)[C@@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1.
What is the InChIKey of ethyl (2S,3S)-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropanoate?
The InChIKey is IFQNITCNCNOZTH-IIRVCBMXSA-N. The full InChI is InChI=1S/C15H26O8/c1-6-19-13(18)10(17)9(16)12-11(22-15(4,5)23-12)8-7-20-14(2,3)21-8/h8-12,16-17H,6-7H2,1-5H3/t8-,9+,10+,11-,12+/m1/s1.
What are the key properties of ethyl (2S,3S)-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropanoate?
ethyl (2S,3S)-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropanoate has a molecular weight of 334.37 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3S)-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropanoate is sourced from PubChem (CID 23629194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).