(2R,3R,4R,6R)-2-(2-methoxyethoxy)-6-(phenylmethoxymethyl)oxane-3,4-diol

C16H24O6 — CID 101172024

IUPAC(2R,3R,4R,6R)-2-(2-methoxyethoxy)-6-(phenylmethoxymethyl)oxane-3,4-diol
SMILESCOCCO[C@@H]1O[C@@H](COCc2ccccc2)C[C@@H](O)[C@H]1O
InChIInChI=1S/C16H24O6/c1-19-7-8-21-16-15(18)14(17)9-13(22-16)11-20-10-12-5-3-2-4-6-12/h2-6,13-18H,7-11H2,1H3/t13-,14-,15-,16-/m1/s1
InChIKeyWZFJBURRZFBBJA-KLHDSHLOSA-N
MW312.36 g/mol
LogP0.70
Rot. Bonds8

About (2R,3R,4R,6R)-2-(2-methoxyethoxy)-6-(phenylmethoxymethyl)oxane-3,4-diol

(2R,3R,4R,6R)-2-(2-methoxyethoxy)-6-(phenylmethoxymethyl)oxane-3,4-diol (PubChem CID 101172024) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is (2R,3R,4R,6R)-2-(2-methoxyethoxy)-6-(phenylmethoxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,6R)-2-(2-methoxyethoxy)-6-(phenylmethoxymethyl)oxane-3,4-diol
PubChem CID101172024
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name(2R,3R,4R,6R)-2-(2-methoxyethoxy)-6-(phenylmethoxymethyl)oxane-3,4-diol
SMILESCOCCO[C@@H]1O[C@@H](COCc2ccccc2)C[C@@H](O)[C@H]1O
InChIInChI=1S/C16H24O6/c1-19-7-8-21-16-15(18)14(17)9-13(22-16)11-20-10-12-5-3-2-4-6-12/h2-6,13-18H,7-11H2,1H3/t13-,14-,15-,16-/m1/s1
InChIKeyWZFJBURRZFBBJA-KLHDSHLOSA-N
XLogP0.70
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
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

(3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane
CID 71070891
(2S,3S,4S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11037694
(1R,2R,4S,6R)-2-methoxy-4-(phenylmethoxymethyl)-3,7-dioxabicyclo[4.1.0]heptane
CID 10955968
2-[(2S,3R,4S,6S)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyethyl-trimethylsilane
CID 67584239
(2R,3R,4R,5R)-5-methoxy-4-(methoxymethoxy)-2-(phenylmethoxymethyl)oxolan-3-ol
CID 101366897
(6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol
CID 146358765
(2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol
CID 90477385
(3R,4R,5S)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
CID 11267933
(2R,3R,5S)-2-[(Z)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-ol
CID 44514537
(4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71106611
(2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol
CID 24764148
(2R,3R,4S,5R,6R)-2-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 10863561

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,6R)-2-(2-methoxyethoxy)-6-(phenylmethoxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,6R)-2-(2-methoxyethoxy)-6-(phenylmethoxymethyl)oxane-3,4-diol (CID 101172024) is (2R,3R,4R,6R)-2-(2-methoxyethoxy)-6-(phenylmethoxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,6R)-2-(2-methoxyethoxy)-6-(phenylmethoxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,6R)-2-(2-methoxyethoxy)-6-(phenylmethoxymethyl)oxane-3,4-diol is COCCO[C@@H]1O[C@@H](COCc2ccccc2)C[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,6R)-2-(2-methoxyethoxy)-6-(phenylmethoxymethyl)oxane-3,4-diol?
The InChIKey is WZFJBURRZFBBJA-KLHDSHLOSA-N. The full InChI is InChI=1S/C16H24O6/c1-19-7-8-21-16-15(18)14(17)9-13(22-16)11-20-10-12-5-3-2-4-6-12/h2-6,13-18H,7-11H2,1H3/t13-,14-,15-,16-/m1/s1.
What are the key properties of (2R,3R,4R,6R)-2-(2-methoxyethoxy)-6-(phenylmethoxymethyl)oxane-3,4-diol?
(2R,3R,4R,6R)-2-(2-methoxyethoxy)-6-(phenylmethoxymethyl)oxane-3,4-diol has a molecular weight of 312.36 g/mol, XLogP of 0.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,6R)-2-(2-methoxyethoxy)-6-(phenylmethoxymethyl)oxane-3,4-diol is sourced from PubChem (CID 101172024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).