3-[(2S,3R,4S,5S)-2-methoxy-3,5-di(propanoyloxy)oxan-4-yl]propanoic acid

C15H24O8 — CID 146662882

IUPAC3-[(2S,3R,4S,5S)-2-methoxy-3,5-di(propanoyloxy)oxan-4-yl]propanoic acid
SMILESCCC(=O)O[C@H]1[C@@H](OC)OC[C@@H](OC(=O)CC)[C@@H]1CCC(=O)O
InChIInChI=1S/C15H24O8/c1-4-12(18)22-10-8-21-15(20-3)14(23-13(19)5-2)9(10)6-7-11(16)17/h9-10,14-15H,4-8H2,1-3H3,(H,16,17)/t9-,10+,14+,15-/m0/s1
InChIKeyCVASROOGKDLHKG-RZCHIYRCSA-N
MW332.35 g/mol
LogP1.11
Rot. Bonds8

About 3-[(2S,3R,4S,5S)-2-methoxy-3,5-di(propanoyloxy)oxan-4-yl]propanoic acid

3-[(2S,3R,4S,5S)-2-methoxy-3,5-di(propanoyloxy)oxan-4-yl]propanoic acid (PubChem CID 146662882) has the molecular formula C15H24O8 and a molecular weight of 332.35 g/mol. Its IUPAC name is 3-[(2S,3R,4S,5S)-2-methoxy-3,5-di(propanoyloxy)oxan-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2S,3R,4S,5S)-2-methoxy-3,5-di(propanoyloxy)oxan-4-yl]propanoic acid
PubChem CID146662882
Molecular FormulaC15H24O8
Molecular Weight332.35 g/mol
Exact Mass332.15
IUPAC Name3-[(2S,3R,4S,5S)-2-methoxy-3,5-di(propanoyloxy)oxan-4-yl]propanoic acid
SMILESCCC(=O)O[C@H]1[C@@H](OC)OC[C@@H](OC(=O)CC)[C@@H]1CCC(=O)O
InChIInChI=1S/C15H24O8/c1-4-12(18)22-10-8-21-15(20-3)14(23-13(19)5-2)9(10)6-7-11(16)17/h9-10,14-15H,4-8H2,1-3H3,(H,16,17)/t9-,10+,14+,15-/m0/s1
InChIKeyCVASROOGKDLHKG-RZCHIYRCSA-N
XLogP1.11
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(2S,3R,4S,5S)-2-methoxy-3,5-di(propanoyloxy)oxan-4-yl]propanoic acid with MolForge

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Related Compounds

3-[(3R,4R,5R)-2-hydroxy-4,5-di(propanoyloxy)oxan-3-yl]propanoic acid
CID 156572981
[(2S,4S,5S,6S)-6-methoxy-4,5-di(propanoyloxy)oxan-2-yl]methyl propanoate
CID 162450764
bis[(2S,3R,4S,5S)-3,4,5-tri(propanoyloxy)oxan-2-yl] (E)-but-2-enedioate
CID 146628844
[(3R,4S,5R,6R)-6-hydroxy-4,5-di(propanoyloxy)oxan-3-yl] propanoate
CID 137357258
1-O-methyl 4-O-[(2R,3R,4R,5R)-3,4,5-tri(propanoyloxy)oxan-2-yl] (E)-but-2-enedioate
CID 146659291
(E)-4-oxo-4-[(2S,3R,4R,5R)-3,4,5-tri(propanoyloxy)oxan-2-yl]oxybut-2-enoic acid
CID 146628891
2-[(4S,5R)-3,4,5-tri(propanoyloxy)oxan-2-yl]propanoic acid
CID 156573027
[(2S,4R,5S)-2,5-di(propanoyloxy)oxan-4-yl] propanoate
CID 162450779
(3-propanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 2-methylpropanoate
CID 118047556
4-[[(3S,3aR,6R,6aR)-6-(3-carboxypropanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-4-oxobutanoic acid
CID 90139075
[(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate
CID 22212825
4-[[(3R,3aR,6S,6aR)-6-[4-[[(3S,3aR,6R,6aS)-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-oxobutanoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-4-oxobutanoic acid
CID 122693380

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3R,4S,5S)-2-methoxy-3,5-di(propanoyloxy)oxan-4-yl]propanoic acid?
The IUPAC name of 3-[(2S,3R,4S,5S)-2-methoxy-3,5-di(propanoyloxy)oxan-4-yl]propanoic acid (CID 146662882) is 3-[(2S,3R,4S,5S)-2-methoxy-3,5-di(propanoyloxy)oxan-4-yl]propanoic acid.
What is the SMILES notation for 3-[(2S,3R,4S,5S)-2-methoxy-3,5-di(propanoyloxy)oxan-4-yl]propanoic acid?
The canonical SMILES for 3-[(2S,3R,4S,5S)-2-methoxy-3,5-di(propanoyloxy)oxan-4-yl]propanoic acid is CCC(=O)O[C@H]1[C@@H](OC)OC[C@@H](OC(=O)CC)[C@@H]1CCC(=O)O.
What is the InChIKey of 3-[(2S,3R,4S,5S)-2-methoxy-3,5-di(propanoyloxy)oxan-4-yl]propanoic acid?
The InChIKey is CVASROOGKDLHKG-RZCHIYRCSA-N. The full InChI is InChI=1S/C15H24O8/c1-4-12(18)22-10-8-21-15(20-3)14(23-13(19)5-2)9(10)6-7-11(16)17/h9-10,14-15H,4-8H2,1-3H3,(H,16,17)/t9-,10+,14+,15-/m0/s1.
What are the key properties of 3-[(2S,3R,4S,5S)-2-methoxy-3,5-di(propanoyloxy)oxan-4-yl]propanoic acid?
3-[(2S,3R,4S,5S)-2-methoxy-3,5-di(propanoyloxy)oxan-4-yl]propanoic acid has a molecular weight of 332.35 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3R,4S,5S)-2-methoxy-3,5-di(propanoyloxy)oxan-4-yl]propanoic acid is sourced from PubChem (CID 146662882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).