(2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)-3,4-bis(phenylmethoxy)oxane

C30H44O5 — CID 121434659

IUPAC(2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)-3,4-bis(phenylmethoxy)oxane
SMILESCCCCCOC[C@H]1OC(OCCCCC)C[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C30H44O5/c1-3-5-13-19-31-24-28-30(34-23-26-17-11-8-12-18-26)27(33-22-25-15-9-7-10-16-25)21-29(35-28)32-20-14-6-4-2/h7-12,15-18,27-30H,3-6,13-14,19-24H2,1-2H3/t27-,28-,29?,30+/m1/s1
InChIKeyLTJLIAPKZKNYGS-XUCOSLSWSA-N
MW484.68 g/mol
LogP6.69
Rot. Bonds17

About (2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)-3,4-bis(phenylmethoxy)oxane

(2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)-3,4-bis(phenylmethoxy)oxane (PubChem CID 121434659) has the molecular formula C30H44O5 and a molecular weight of 484.68 g/mol. Its IUPAC name is (2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)-3,4-bis(phenylmethoxy)oxane.

Molecular Properties

Compound Name(2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)-3,4-bis(phenylmethoxy)oxane
PubChem CID121434659
Molecular FormulaC30H44O5
Molecular Weight484.68 g/mol
Exact Mass484.32
IUPAC Name(2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)-3,4-bis(phenylmethoxy)oxane
SMILESCCCCCOC[C@H]1OC(OCCCCC)C[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C30H44O5/c1-3-5-13-19-31-24-28-30(34-23-26-17-11-8-12-18-26)27(33-22-25-15-9-7-10-16-25)21-29(35-28)32-20-14-6-4-2/h7-12,15-18,27-30H,3-6,13-14,19-24H2,1-2H3/t27-,28-,29?,30+/m1/s1
InChIKeyLTJLIAPKZKNYGS-XUCOSLSWSA-N
XLogP6.69
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.68
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R,5R,6R)-4-pentoxy-6-(pentoxymethyl)-5-phenylmethoxyoxane-2,3-diol
CID 121434721
(2S,3S,4R,5R)-5-(hexadecoxymethyl)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde
CID 101388975
(2R,3R,4S,5S)-7-methoxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxepane
CID 58940191
(2R,3R,4S,5R,6R)-2-hexadecoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10259591
(4R,6S)-6-phenoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 126612116
(3R,4S,5S)-2-[[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxymethyl]-3,4-dimethoxy-5-octoxyoxolane
CID 25085916
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)oxane-3,4-diol
CID 121434694
(1R,2S,3R,5S)-N-methyl-2-pentoxy-3,5-bis(phenylmethoxy)cyclopentan-1-amine
CID 70586172
(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
(2R,3R,4S,5R)-2-decoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102422537
(2R,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde
CID 53483097

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)-3,4-bis(phenylmethoxy)oxane?
The IUPAC name of (2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)-3,4-bis(phenylmethoxy)oxane (CID 121434659) is (2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)-3,4-bis(phenylmethoxy)oxane.
What is the SMILES notation for (2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)-3,4-bis(phenylmethoxy)oxane?
The canonical SMILES for (2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)-3,4-bis(phenylmethoxy)oxane is CCCCCOC[C@H]1OC(OCCCCC)C[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)-3,4-bis(phenylmethoxy)oxane?
The InChIKey is LTJLIAPKZKNYGS-XUCOSLSWSA-N. The full InChI is InChI=1S/C30H44O5/c1-3-5-13-19-31-24-28-30(34-23-26-17-11-8-12-18-26)27(33-22-25-15-9-7-10-16-25)21-29(35-28)32-20-14-6-4-2/h7-12,15-18,27-30H,3-6,13-14,19-24H2,1-2H3/t27-,28-,29?,30+/m1/s1.
What are the key properties of (2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)-3,4-bis(phenylmethoxy)oxane?
(2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)-3,4-bis(phenylmethoxy)oxane has a molecular weight of 484.68 g/mol, XLogP of 6.69, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)-3,4-bis(phenylmethoxy)oxane is sourced from PubChem (CID 121434659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).