(2S,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-ol

C30H34O5 — CID 11798731

IUPAC(2S,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-ol
SMILESC=CC[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O
InChIInChI=1S/C30H34O5/c1-2-12-26-28(31)30(34-21-25-17-10-5-11-18-25)29(33-20-24-15-8-4-9-16-24)27(35-26)22-32-19-23-13-6-3-7-14-23/h2-11,13-18,26-31H,1,12,19-22H2/t26-,27+,28+,29+,30+/m0/s1
InChIKeyUYWKXHISDGPRTR-XOZXEBRTSA-N
MW474.60 g/mol
LogP5.08
Rot. Bonds12

About (2S,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-ol

(2S,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-ol (PubChem CID 11798731) has the molecular formula C30H34O5 and a molecular weight of 474.60 g/mol. Its IUPAC name is (2S,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-ol.

Molecular Properties

Compound Name(2S,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-ol
PubChem CID11798731
Molecular FormulaC30H34O5
Molecular Weight474.60 g/mol
Exact Mass474.24
IUPAC Name(2S,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-ol
SMILESC=CC[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O
InChIInChI=1S/C30H34O5/c1-2-12-26-28(31)30(34-21-25-17-10-5-11-18-25)29(33-20-24-15-8-4-9-16-24)27(35-26)22-32-19-23-13-6-3-7-14-23/h2-11,13-18,26-31H,1,12,19-22H2/t26-,27+,28+,29+,30+/m0/s1
InChIKeyUYWKXHISDGPRTR-XOZXEBRTSA-N
XLogP5.08
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 188977
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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-ol?
The IUPAC name of (2S,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-ol (CID 11798731) is (2S,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-ol.
What is the SMILES notation for (2S,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-ol?
The canonical SMILES for (2S,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-ol is C=CC[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O.
What is the InChIKey of (2S,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-ol?
The InChIKey is UYWKXHISDGPRTR-XOZXEBRTSA-N. The full InChI is InChI=1S/C30H34O5/c1-2-12-26-28(31)30(34-21-25-17-10-5-11-18-25)29(33-20-24-15-8-4-9-16-24)27(35-26)22-32-19-23-13-6-3-7-14-23/h2-11,13-18,26-31H,1,12,19-22H2/t26-,27+,28+,29+,30+/m0/s1.
What are the key properties of (2S,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-ol?
(2S,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-ol has a molecular weight of 474.60 g/mol, XLogP of 5.08, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-ol is sourced from PubChem (CID 11798731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).