(2R,3S,4S,5R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane

C29H32O5 — CID 14216835

IUPAC(2R,3S,4S,5R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
SMILESC=C[C@H]1O[C@H](OC)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C29H32O5/c1-3-25-26(31-19-22-13-7-4-8-14-22)27(32-20-23-15-9-5-10-16-23)28(29(30-2)34-25)33-21-24-17-11-6-12-18-24/h3-18,25-29H,1,19-21H2,2H3/t25-,26+,27+,28-,29+/m1/s1
InChIKeyMLGOQFCVHKAMQL-LLQHYSMESA-N
MW460.57 g/mol
LogP5.30
Rot. Bonds11

About (2R,3S,4S,5R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane

(2R,3S,4S,5R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane (PubChem CID 14216835) has the molecular formula C29H32O5 and a molecular weight of 460.57 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
PubChem CID14216835
Molecular FormulaC29H32O5
Molecular Weight460.57 g/mol
Exact Mass460.22
IUPAC Name(2R,3S,4S,5R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
SMILESC=C[C@H]1O[C@H](OC)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C29H32O5/c1-3-25-26(31-19-22-13-7-4-8-14-22)27(32-20-23-15-9-5-10-16-23)28(29(30-2)34-25)33-21-24-17-11-6-12-18-24/h3-18,25-29H,1,19-21H2,2H3/t25-,26+,27+,28-,29+/m1/s1
InChIKeyMLGOQFCVHKAMQL-LLQHYSMESA-N
XLogP5.30
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,3S,4S,5R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane with MolForge

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Related Compounds

[(2R,3R,4S,5S,6R)-6-ethenyl-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 101254952
tert-butyl-[4-[(3R,4S,5R,6S)-2-ethenyl-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxybut-2-ynoxy]-dimethylsilane
CID 100970687
[(2R,3R,4R,5R,6S)-2-ethenyl-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-[(2R,3S)-2-ethenyloxan-3-yl]-dimethylsilane
CID 101194681
(3R,4R,5R,6S)-6-ethenyl-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 100977031
(2S,3S,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-prop-2-enyloxan-3-ol
CID 102372231
(2S,3R,4S,6S)-6-ethenyl-2-methoxy-3,4-bis(phenylmethoxy)oxane
CID 46914368
(2S,3R,4S,5R,6S)-2-(iodomethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 11330611
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808
2-[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol
CID 67629587
3-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propanoic acid
CID 100978536
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 67155731

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane?
The IUPAC name of (2R,3S,4S,5R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane (CID 14216835) is (2R,3S,4S,5R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane is C=C[C@H]1O[C@H](OC)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane?
The InChIKey is MLGOQFCVHKAMQL-LLQHYSMESA-N. The full InChI is InChI=1S/C29H32O5/c1-3-25-26(31-19-22-13-7-4-8-14-22)27(32-20-23-15-9-5-10-16-23)28(29(30-2)34-25)33-21-24-17-11-6-12-18-24/h3-18,25-29H,1,19-21H2,2H3/t25-,26+,27+,28-,29+/m1/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane?
(2R,3S,4S,5R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane has a molecular weight of 460.57 g/mol, XLogP of 5.30, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane is sourced from PubChem (CID 14216835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).