(4R,5S)-4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]oxolan-2-one

C15H20O7 — CID 141278370

IUPAC(4R,5S)-4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]oxolan-2-one
SMILESCOc1cc(COC[C@@H]2OC(=O)C[C@H]2O)cc(OC)c1OC
InChIInChI=1S/C15H20O7/c1-18-11-4-9(5-12(19-2)15(11)20-3)7-21-8-13-10(16)6-14(17)22-13/h4-5,10,13,16H,6-8H2,1-3H3/t10-,13+/m1/s1
InChIKeyLFHFZQOCTLSTRG-MFKMUULPSA-N
MW312.32 g/mol
LogP0.91
Rot. Bonds7

About (4R,5S)-4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]oxolan-2-one

(4R,5S)-4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]oxolan-2-one (PubChem CID 141278370) has the molecular formula C15H20O7 and a molecular weight of 312.32 g/mol. Its IUPAC name is (4R,5S)-4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]oxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]oxolan-2-one
PubChem CID141278370
Molecular FormulaC15H20O7
Molecular Weight312.32 g/mol
Exact Mass312.12
IUPAC Name(4R,5S)-4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]oxolan-2-one
SMILESCOc1cc(COC[C@@H]2OC(=O)C[C@H]2O)cc(OC)c1OC
InChIInChI=1S/C15H20O7/c1-18-11-4-9(5-12(19-2)15(11)20-3)7-21-8-13-10(16)6-14(17)22-13/h4-5,10,13,16H,6-8H2,1-3H3/t10-,13+/m1/s1
InChIKeyLFHFZQOCTLSTRG-MFKMUULPSA-N
XLogP0.91
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3,4,5-trimethoxyphenyl)methoxymethanol
CID 167081635
2-[[2,6-dimethoxy-4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 118245779
(2S,3S)-1,4-bis[(3,4,5-trimethoxyphenyl)methoxy]butane-2,3-diol
CID 175639700
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[(3,4,5-trimethoxyphenyl)methyl]oxane-3,4,5-triol
CID 141165728
[(2R,3S)-3-hydroxy-5-oxooxolan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 102251684
(4R,5R)-4-hydroxy-5-(1,4,5,8-tetramethoxynaphthalen-2-yl)oxolan-2-one
CID 154707005
(2S,3R)-5-oxo-2-(3,4,5-trimethoxyphenyl)oxolane-3-carboxylic acid
CID 97034964
(2R,3S)-5-oxo-2-(3,4,5-trimethoxyphenyl)oxolane-3-carboxylic acid
CID 97034967
5-(hexoxymethyl)-1,2,3-trimethoxybenzene
CID 54336542
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
(4R,5R)-5-(6-bromo-1,4,5,8-tetramethoxynaphthalen-2-yl)-4-hydroxyoxolan-2-one
CID 134955869
(4R,5R)-4-hydroxy-5-(1,4,5-trimethoxynaphthalen-2-yl)oxolan-2-one
CID 11267116

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]oxolan-2-one?
The IUPAC name of (4R,5S)-4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]oxolan-2-one (CID 141278370) is (4R,5S)-4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]oxolan-2-one.
What is the SMILES notation for (4R,5S)-4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]oxolan-2-one?
The canonical SMILES for (4R,5S)-4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]oxolan-2-one is COc1cc(COC[C@@H]2OC(=O)C[C@H]2O)cc(OC)c1OC.
What is the InChIKey of (4R,5S)-4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]oxolan-2-one?
The InChIKey is LFHFZQOCTLSTRG-MFKMUULPSA-N. The full InChI is InChI=1S/C15H20O7/c1-18-11-4-9(5-12(19-2)15(11)20-3)7-21-8-13-10(16)6-14(17)22-13/h4-5,10,13,16H,6-8H2,1-3H3/t10-,13+/m1/s1.
What are the key properties of (4R,5S)-4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]oxolan-2-one?
(4R,5S)-4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]oxolan-2-one has a molecular weight of 312.32 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]oxolan-2-one is sourced from PubChem (CID 141278370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).