(2R,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol

C14H20O6 — CID 171122948

IUPAC(2R,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol
SMILESCOc1ccc(CO[C@@H]2[C@@H](OC)[C@H](O)O[C@@H]2CO)cc1
InChIInChI=1S/C14H20O6/c1-17-10-5-3-9(4-6-10)8-19-12-11(7-15)20-14(16)13(12)18-2/h3-6,11-16H,7-8H2,1-2H3/t11-,12+,13-,14-/m1/s1
InChIKeyHREAIISOMXLQRG-XJFOESAGSA-N
MW284.31 g/mol
LogP0.30
Rot. Bonds6

About (2R,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol

(2R,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol (PubChem CID 171122948) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2R,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol
PubChem CID171122948
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name(2R,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol
SMILESCOc1ccc(CO[C@@H]2[C@@H](OC)[C@H](O)O[C@@H]2CO)cc1
InChIInChI=1S/C14H20O6/c1-17-10-5-3-9(4-6-10)8-19-12-11(7-15)20-14(16)13(12)18-2/h3-6,11-16H,7-8H2,1-2H3/t11-,12+,13-,14-/m1/s1
InChIKeyHREAIISOMXLQRG-XJFOESAGSA-N
XLogP0.30
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol with MolForge

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Related Compounds

(2R,3R,4S,5S,6R)-3,4-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxyoxan-2-ol
CID 171123644
[(2R,3R,4S,5R,6R)-6-methoxy-5-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 101103346
[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol
CID 101181245
(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol
CID 171124705
[(2R,3R,4S,5R,6S)-5-[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)oxan-2-yl]methanol
CID 11365130
[(2R,3R,4S,5R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-di(tetradecoxy)oxan-2-yl]methanol
CID 69040178
(2R,3R,4S,5S)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-ol
CID 130904111
(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-ol
CID 131205336
[(2R,3S,4R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyoxan-2-yl]methanol
CID 56965248
(2S,3R,4S,5R,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 171125035
(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427
(2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]oxane-3,4-diol
CID 22876210

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol?
The IUPAC name of (2R,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol (CID 171122948) is (2R,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol.
What is the SMILES notation for (2R,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol?
The canonical SMILES for (2R,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol is COc1ccc(CO[C@@H]2[C@@H](OC)[C@H](O)O[C@@H]2CO)cc1.
What is the InChIKey of (2R,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol?
The InChIKey is HREAIISOMXLQRG-XJFOESAGSA-N. The full InChI is InChI=1S/C14H20O6/c1-17-10-5-3-9(4-6-10)8-19-12-11(7-15)20-14(16)13(12)18-2/h3-6,11-16H,7-8H2,1-2H3/t11-,12+,13-,14-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol?
(2R,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol has a molecular weight of 284.31 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol is sourced from PubChem (CID 171122948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).