3-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]-3H-pyridine-2,6-dione

C15H19NO6 — CID 118488867

IUPAC3-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]-3H-pyridine-2,6-dione
SMILESC#CCO[C@H]1C(OC)[C@@H](COC)O[C@H]1C1C=CC(=O)NC1=O
InChIInChI=1S/C15H19NO6/c1-4-7-21-14-12(9-5-6-11(17)16-15(9)18)22-10(8-19-2)13(14)20-3/h1,5-6,9-10,12-14H,7-8H2,2-3H3,(H,16,17,18)/t9?,10-,12+,13?,14-/m1/s1
InChIKeyVUAFNEKHHURHLC-IBLKKDCCSA-N
MW309.32 g/mol
LogP-0.74
Rot. Bonds6

About 3-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]-3H-pyridine-2,6-dione

3-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]-3H-pyridine-2,6-dione (PubChem CID 118488867) has the molecular formula C15H19NO6 and a molecular weight of 309.32 g/mol. Its IUPAC name is 3-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]-3H-pyridine-2,6-dione.

Molecular Properties

Compound Name3-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]-3H-pyridine-2,6-dione
PubChem CID118488867
Molecular FormulaC15H19NO6
Molecular Weight309.32 g/mol
Exact Mass309.12
IUPAC Name3-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]-3H-pyridine-2,6-dione
SMILESC#CCO[C@H]1C(OC)[C@@H](COC)O[C@H]1C1C=CC(=O)NC1=O
InChIInChI=1S/C15H19NO6/c1-4-7-21-14-12(9-5-6-11(17)16-15(9)18)22-10(8-19-2)13(14)20-3/h1,5-6,9-10,12-14H,7-8H2,2-3H3,(H,16,17,18)/t9?,10-,12+,13?,14-/m1/s1
InChIKeyVUAFNEKHHURHLC-IBLKKDCCSA-N
XLogP-0.74
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]-3H-pyridine-2,6-dione 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

1-[(2R,3S,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 118461754
[(2R,3R,5S)-5-(2,6-dioxo-3H-pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium
CID 169316222
4-amino-1-[(2R,3S,5R)-3-but-3-ynoxy-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 155657461
(2R,3S,4R,5R,6R)-2-ethynyl-3,4,5-trimethoxy-6-(methoxymethyl)oxane
CID 102428596
2-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxyethanamine
CID 130187739
1-[(2R,3S,5R)-5-ethyl-3-methoxy-4-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 174082533
(2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane
CID 174068913
2-[3-[(2S,3R,4R,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]propoxy]isoindole-1,3-dione
CID 102409191
(2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxymethyl)oxane
CID 12900878
CID 20741832
CID 20741832
2-[3-[(2S,3S,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxypropoxy]isoindole-1,3-dione
CID 102320499
(2R,3S,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-[2-[2-[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethoxy]ethoxy]oxane
CID 101182912

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]-3H-pyridine-2,6-dione?
The IUPAC name of 3-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]-3H-pyridine-2,6-dione (CID 118488867) is 3-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]-3H-pyridine-2,6-dione.
What is the SMILES notation for 3-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]-3H-pyridine-2,6-dione?
The canonical SMILES for 3-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]-3H-pyridine-2,6-dione is C#CCO[C@H]1C(OC)[C@@H](COC)O[C@H]1C1C=CC(=O)NC1=O.
What is the InChIKey of 3-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]-3H-pyridine-2,6-dione?
The InChIKey is VUAFNEKHHURHLC-IBLKKDCCSA-N. The full InChI is InChI=1S/C15H19NO6/c1-4-7-21-14-12(9-5-6-11(17)16-15(9)18)22-10(8-19-2)13(14)20-3/h1,5-6,9-10,12-14H,7-8H2,2-3H3,(H,16,17,18)/t9?,10-,12+,13?,14-/m1/s1.
What are the key properties of 3-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]-3H-pyridine-2,6-dione?
3-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]-3H-pyridine-2,6-dione has a molecular weight of 309.32 g/mol, XLogP of -0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-3-prop-2-ynoxyoxolan-2-yl]-3H-pyridine-2,6-dione is sourced from PubChem (CID 118488867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).