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

C37H40O5 — CID 11092955

IUPAC(2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
SMILESC=CC[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C37H40O5/c1-2-15-33-35(39-25-30-18-9-4-10-19-30)37(41-27-32-22-13-6-14-23-32)36(40-26-31-20-11-5-12-21-31)34(42-33)28-38-24-29-16-7-3-8-17-29/h2-14,16-23,33-37H,1,15,24-28H2/t33-,34+,35-,36+,37+/m0/s1
InChIKeyADTMAXUMXUHSAE-HKPHLGJNSA-N
MW564.72 g/mol
LogP7.30
Rot. Bonds15

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

(2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane (PubChem CID 11092955) has the molecular formula C37H40O5 and a molecular weight of 564.72 g/mol. Its IUPAC name is (2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane.

Molecular Properties

Compound Name(2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
PubChem CID11092955
Molecular FormulaC37H40O5
Molecular Weight564.72 g/mol
Exact Mass564.29
IUPAC Name(2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
SMILESC=CC[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C37H40O5/c1-2-15-33-35(39-25-30-18-9-4-10-19-30)37(41-27-32-22-13-6-14-23-32)36(40-26-31-20-11-5-12-21-31)34(42-33)28-38-24-29-16-7-3-8-17-29/h2-14,16-23,33-37H,1,15,24-28H2/t33-,34+,35-,36+,37+/m0/s1
InChIKeyADTMAXUMXUHSAE-HKPHLGJNSA-N
XLogP7.30
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.72
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane?
The IUPAC name of (2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane (CID 11092955) is (2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane.
What is the SMILES notation for (2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane?
The canonical SMILES for (2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane is C=CC[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane?
The InChIKey is ADTMAXUMXUHSAE-HKPHLGJNSA-N. The full InChI is InChI=1S/C37H40O5/c1-2-15-33-35(39-25-30-18-9-4-10-19-30)37(41-27-32-22-13-6-14-23-32)36(40-26-31-20-11-5-12-21-31)34(42-33)28-38-24-29-16-7-3-8-17-29/h2-14,16-23,33-37H,1,15,24-28H2/t33-,34+,35-,36+,37+/m0/s1.
What are the key properties of (2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane?
(2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane has a molecular weight of 564.72 g/mol, XLogP of 7.30, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane is sourced from PubChem (CID 11092955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).