(2R,3R,5R)-2-(hydroxymethyl)-5-methoxy-3-(2-phenylmethoxyethoxymethyl)oxolan-3-ol

C16H24O6 — CID 10710231

IUPAC(2R,3R,5R)-2-(hydroxymethyl)-5-methoxy-3-(2-phenylmethoxyethoxymethyl)oxolan-3-ol
SMILESCO[C@H]1C[C@@](O)(COCCOCc2ccccc2)[C@@H](CO)O1
InChIInChI=1S/C16H24O6/c1-19-15-9-16(18,14(10-17)22-15)12-21-8-7-20-11-13-5-3-2-4-6-13/h2-6,14-15,17-18H,7-12H2,1H3/t14-,15-,16-/m1/s1
InChIKeyVZVSIMQDJGQWBY-BZUAXINKSA-N
MW312.36 g/mol
LogP0.70
Rot. Bonds9

About (2R,3R,5R)-2-(hydroxymethyl)-5-methoxy-3-(2-phenylmethoxyethoxymethyl)oxolan-3-ol

(2R,3R,5R)-2-(hydroxymethyl)-5-methoxy-3-(2-phenylmethoxyethoxymethyl)oxolan-3-ol (PubChem CID 10710231) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is (2R,3R,5R)-2-(hydroxymethyl)-5-methoxy-3-(2-phenylmethoxyethoxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5R)-2-(hydroxymethyl)-5-methoxy-3-(2-phenylmethoxyethoxymethyl)oxolan-3-ol
PubChem CID10710231
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name(2R,3R,5R)-2-(hydroxymethyl)-5-methoxy-3-(2-phenylmethoxyethoxymethyl)oxolan-3-ol
SMILESCO[C@H]1C[C@@](O)(COCCOCc2ccccc2)[C@@H](CO)O1
InChIInChI=1S/C16H24O6/c1-19-15-9-16(18,14(10-17)22-15)12-21-8-7-20-11-13-5-3-2-4-6-13/h2-6,14-15,17-18H,7-12H2,1H3/t14-,15-,16-/m1/s1
InChIKeyVZVSIMQDJGQWBY-BZUAXINKSA-N
XLogP0.70
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3R)-3-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 121000774
[(4R,5S)-2,2,5-trimethyl-5-(3-phenylmethoxypropyl)-1,3-dioxolan-4-yl]methanol
CID 10968408
(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 10977493
oxiran-2-ylmethanol;phenylmethoxymethylbenzene
CID 87861777
[(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol
CID 70448323
2-(2-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115
3-[(2S,5R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol
CID 124677262
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
ethoxymethylbenzene;oxiran-2-ylmethanol
CID 174298824
[(2S,3S)-3-ethenyl-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 11746143
[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]methanol
CID 15473516

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-2-(hydroxymethyl)-5-methoxy-3-(2-phenylmethoxyethoxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,5R)-2-(hydroxymethyl)-5-methoxy-3-(2-phenylmethoxyethoxymethyl)oxolan-3-ol (CID 10710231) is (2R,3R,5R)-2-(hydroxymethyl)-5-methoxy-3-(2-phenylmethoxyethoxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,5R)-2-(hydroxymethyl)-5-methoxy-3-(2-phenylmethoxyethoxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,5R)-2-(hydroxymethyl)-5-methoxy-3-(2-phenylmethoxyethoxymethyl)oxolan-3-ol is CO[C@H]1C[C@@](O)(COCCOCc2ccccc2)[C@@H](CO)O1.
What is the InChIKey of (2R,3R,5R)-2-(hydroxymethyl)-5-methoxy-3-(2-phenylmethoxyethoxymethyl)oxolan-3-ol?
The InChIKey is VZVSIMQDJGQWBY-BZUAXINKSA-N. The full InChI is InChI=1S/C16H24O6/c1-19-15-9-16(18,14(10-17)22-15)12-21-8-7-20-11-13-5-3-2-4-6-13/h2-6,14-15,17-18H,7-12H2,1H3/t14-,15-,16-/m1/s1.
What are the key properties of (2R,3R,5R)-2-(hydroxymethyl)-5-methoxy-3-(2-phenylmethoxyethoxymethyl)oxolan-3-ol?
(2R,3R,5R)-2-(hydroxymethyl)-5-methoxy-3-(2-phenylmethoxyethoxymethyl)oxolan-3-ol has a molecular weight of 312.36 g/mol, XLogP of 0.70, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-2-(hydroxymethyl)-5-methoxy-3-(2-phenylmethoxyethoxymethyl)oxolan-3-ol is sourced from PubChem (CID 10710231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).