(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxane

C37H40O6 — CID 11813898

IUPAC(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxane
SMILESC=CCO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C37H40O6/c1-2-23-39-37-36(42-27-32-21-13-6-14-22-32)35(41-26-31-19-11-5-12-20-31)34(40-25-30-17-9-4-10-18-30)33(43-37)28-38-24-29-15-7-3-8-16-29/h2-22,33-37H,1,23-28H2/t33-,34-,35+,36-,37-/m1/s1
InChIKeyLFXIXGYQTQLJCK-KHKVHWIZSA-N
MW580.72 g/mol
LogP6.89
Rot. Bonds16

About (2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxane

(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxane (PubChem CID 11813898) has the molecular formula C37H40O6 and a molecular weight of 580.72 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxane.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxane
PubChem CID11813898
Molecular FormulaC37H40O6
Molecular Weight580.72 g/mol
Exact Mass580.28
IUPAC Name(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxane
SMILESC=CCO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C37H40O6/c1-2-23-39-37-36(42-27-32-21-13-6-14-22-32)35(41-26-31-19-11-5-12-20-31)34(40-25-30-17-9-4-10-18-30)33(43-37)28-38-24-29-15-7-3-8-16-29/h2-22,33-37H,1,23-28H2/t33-,34-,35+,36-,37-/m1/s1
InChIKeyLFXIXGYQTQLJCK-KHKVHWIZSA-N
XLogP6.89
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.72
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxane?
The IUPAC name of (2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxane (CID 11813898) is (2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxane.
What is the SMILES notation for (2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxane?
The canonical SMILES for (2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxane is C=CCO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxane?
The InChIKey is LFXIXGYQTQLJCK-KHKVHWIZSA-N. The full InChI is InChI=1S/C37H40O6/c1-2-23-39-37-36(42-27-32-21-13-6-14-22-32)35(41-26-31-19-11-5-12-20-31)34(40-25-30-17-9-4-10-18-30)33(43-37)28-38-24-29-15-7-3-8-16-29/h2-22,33-37H,1,23-28H2/t33-,34-,35+,36-,37-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxane?
(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxane has a molecular weight of 580.72 g/mol, XLogP of 6.89, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxane is sourced from PubChem (CID 11813898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).