(2R,3S,5S)-5-(oxan-2-yloxy)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxane

C25H32O5 — CID 10835500

IUPAC(2R,3S,5S)-5-(oxan-2-yloxy)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxane
SMILESc1ccc(COC[C@H]2OC[C@@H](OC3CCCCO3)C[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C25H32O5/c1-3-9-20(10-4-1)16-26-19-24-23(28-17-21-11-5-2-6-12-21)15-22(18-29-24)30-25-13-7-8-14-27-25/h1-6,9-12,22-25H,7-8,13-19H2/t22-,23-,24+,25?/m0/s1
InChIKeyGFZBZHJKZOJFHY-YTGPUZKVSA-N
MW412.53 g/mol
LogP4.49
Rot. Bonds9

About (2R,3S,5S)-5-(oxan-2-yloxy)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxane

(2R,3S,5S)-5-(oxan-2-yloxy)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxane (PubChem CID 10835500) has the molecular formula C25H32O5 and a molecular weight of 412.53 g/mol. Its IUPAC name is (2R,3S,5S)-5-(oxan-2-yloxy)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(2R,3S,5S)-5-(oxan-2-yloxy)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxane
PubChem CID10835500
Molecular FormulaC25H32O5
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name(2R,3S,5S)-5-(oxan-2-yloxy)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxane
SMILESc1ccc(COC[C@H]2OC[C@@H](OC3CCCCO3)C[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C25H32O5/c1-3-9-20(10-4-1)16-26-19-24-23(28-17-21-11-5-2-6-12-21)15-22(18-29-24)30-25-13-7-8-14-27-25/h1-6,9-12,22-25H,7-8,13-19H2/t22-,23-,24+,25?/m0/s1
InChIKeyGFZBZHJKZOJFHY-YTGPUZKVSA-N
XLogP4.49
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane
CID 122363520
(2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 16688925
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
benzene;3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 171558653
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
(2R,3S,4R,6Z)-6-[4-(oxan-2-yloxy)butylidene]-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 101459333
(2S,3S)-3-hexadecoxy-2-(phenylmethoxymethyl)oxane
CID 22841014
(3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 135017778
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,3R,4S,5R,6S)-3-[3-(oxan-2-yloxy)propoxy]-2-[3-(oxan-2-yloxy)propoxymethyl]-4,5,6-tris(phenylmethoxy)oxane
CID 102011102
5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 166975544
(2S,3S,4S,5R,6R)-2-cyclohexyloxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10438892

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-5-(oxan-2-yloxy)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxane?
The IUPAC name of (2R,3S,5S)-5-(oxan-2-yloxy)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxane (CID 10835500) is (2R,3S,5S)-5-(oxan-2-yloxy)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (2R,3S,5S)-5-(oxan-2-yloxy)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxane?
The canonical SMILES for (2R,3S,5S)-5-(oxan-2-yloxy)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxane is c1ccc(COC[C@H]2OC[C@@H](OC3CCCCO3)C[C@@H]2OCc2ccccc2)cc1.
What is the InChIKey of (2R,3S,5S)-5-(oxan-2-yloxy)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxane?
The InChIKey is GFZBZHJKZOJFHY-YTGPUZKVSA-N. The full InChI is InChI=1S/C25H32O5/c1-3-9-20(10-4-1)16-26-19-24-23(28-17-21-11-5-2-6-12-21)15-22(18-29-24)30-25-13-7-8-14-27-25/h1-6,9-12,22-25H,7-8,13-19H2/t22-,23-,24+,25?/m0/s1.
What are the key properties of (2R,3S,5S)-5-(oxan-2-yloxy)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxane?
(2R,3S,5S)-5-(oxan-2-yloxy)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxane has a molecular weight of 412.53 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-5-(oxan-2-yloxy)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 10835500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).