(2R,3S,4R,5R,6R)-2-ethenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol

C29H32O5 — CID 11858538

IUPAC(2R,3S,4R,5R,6R)-2-ethenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
SMILESC=C[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O
InChIInChI=1S/C29H32O5/c1-2-25-27(30)29(33-20-24-16-10-5-11-17-24)28(32-19-23-14-8-4-9-15-23)26(34-25)21-31-18-22-12-6-3-7-13-22/h2-17,25-30H,1,18-21H2/t25-,26-,27+,28-,29-/m1/s1
InChIKeyUFXIZCQEFAYYDJ-XYPQWYOHSA-N
MW460.57 g/mol
LogP4.69
Rot. Bonds11

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

(2R,3S,4R,5R,6R)-2-ethenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol (PubChem CID 11858538) has the molecular formula C29H32O5 and a molecular weight of 460.57 g/mol. Its IUPAC name is (2R,3S,4R,5R,6R)-2-ethenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6R)-2-ethenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
PubChem CID11858538
Molecular FormulaC29H32O5
Molecular Weight460.57 g/mol
Exact Mass460.22
IUPAC Name(2R,3S,4R,5R,6R)-2-ethenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
SMILESC=C[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O
InChIInChI=1S/C29H32O5/c1-2-25-27(30)29(33-20-24-16-10-5-11-17-24)28(32-19-23-14-8-4-9-15-23)26(34-25)21-31-18-22-12-6-3-7-13-22/h2-17,25-30H,1,18-21H2/t25-,26-,27+,28-,29-/m1/s1
InChIKeyUFXIZCQEFAYYDJ-XYPQWYOHSA-N
XLogP4.69
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 54.69
H-Bond Donors ≤ 51
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,3S,4R,5R,6R)-2-ethenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?
The IUPAC name of (2R,3S,4R,5R,6R)-2-ethenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol (CID 11858538) is (2R,3S,4R,5R,6R)-2-ethenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol.
What is the SMILES notation for (2R,3S,4R,5R,6R)-2-ethenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?
The canonical SMILES for (2R,3S,4R,5R,6R)-2-ethenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol is C=C[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O.
What is the InChIKey of (2R,3S,4R,5R,6R)-2-ethenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?
The InChIKey is UFXIZCQEFAYYDJ-XYPQWYOHSA-N. The full InChI is InChI=1S/C29H32O5/c1-2-25-27(30)29(33-20-24-16-10-5-11-17-24)28(32-19-23-14-8-4-9-15-23)26(34-25)21-31-18-22-12-6-3-7-13-22/h2-17,25-30H,1,18-21H2/t25-,26-,27+,28-,29-/m1/s1.
What are the key properties of (2R,3S,4R,5R,6R)-2-ethenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?
(2R,3S,4R,5R,6R)-2-ethenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol has a molecular weight of 460.57 g/mol, XLogP of 4.69, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6R)-2-ethenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol is sourced from PubChem (CID 11858538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).