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

C37H38O6 — CID 11851326

IUPAC(2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-ynoxyoxane
SMILESC#CCOC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C37H38O6/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/h1,3-22,33-37H,23-28H2/t33-,34-,35+,36-,37?/m1/s1
InChIKeyATGYINYFSVYATO-YGMGGQQPSA-N
MW578.71 g/mol
LogP6.33
Rot. Bonds15

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

(2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-ynoxyoxane (PubChem CID 11851326) has the molecular formula C37H38O6 and a molecular weight of 578.71 g/mol. Its IUPAC name is (2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-ynoxyoxane.

Molecular Properties

Compound Name(2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-ynoxyoxane
PubChem CID11851326
Molecular FormulaC37H38O6
Molecular Weight578.71 g/mol
Exact Mass578.27
IUPAC Name(2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-ynoxyoxane
SMILESC#CCOC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C37H38O6/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/h1,3-22,33-37H,23-28H2/t33-,34-,35+,36-,37?/m1/s1
InChIKeyATGYINYFSVYATO-YGMGGQQPSA-N
XLogP6.33
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.71
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-ynoxyoxane?
The IUPAC name of (2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-ynoxyoxane (CID 11851326) is (2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-ynoxyoxane.
What is the SMILES notation for (2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-ynoxyoxane?
The canonical SMILES for (2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-ynoxyoxane is C#CCOC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-ynoxyoxane?
The InChIKey is ATGYINYFSVYATO-YGMGGQQPSA-N. The full InChI is InChI=1S/C37H38O6/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/h1,3-22,33-37H,23-28H2/t33-,34-,35+,36-,37?/m1/s1.
What are the key properties of (2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-ynoxyoxane?
(2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-ynoxyoxane has a molecular weight of 578.71 g/mol, XLogP of 6.33, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-ynoxyoxane is sourced from PubChem (CID 11851326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).