(2S,4S,5S)-2-ethenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[[(3S,4S,6R)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]oxane

C46H56O11 — CID 146029712

About (2S,4S,5S)-2-ethenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[[(3S,4S,6R)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]oxane

(2S,4S,5S)-2-ethenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[[(3S,4S,6R)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]oxane (PubChem CID 146029712) has the molecular formula C46H56O11 and a molecular weight of 784.94 g/mol. Its IUPAC name is (2S,4S,5S)-2-ethenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[[(3S,4S,6R)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]oxane.

Molecular Properties

• Compound Name: (2S,4S,5S)-2-ethenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[[(3S,4S,6R)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]oxane
• PubChem CID: 146029712
• Molecular Formula: C46H56O11
• Molecular Weight: 784.94 g/mol
• Exact Mass: 784.38
• IUPAC Name: (2S,4S,5S)-2-ethenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[[(3S,4S,6R)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]oxane
• SMILES: C=C[C@]1(OCC2O[C@@H](OC)C(OC)[C@@H](OC)[C@H]2OC)OC(COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1OCc1ccccc1
• InChI: InChI=1S/C46H56O11/c1-6-46(55-32-37-39(47-2)41(48-3)43(49-4)45(50-5)56-37)44(54-30-36-25-17-10-18-26-36)42(53-29-35-23-15-9-16-24-35)40(52-28-34-21-13-8-14-22-34)38(57-46)31-51-27-33-19-11-7-12-20-33/h6-26,37-45H,1,27-32H2,2-5H3/t37?,38?,39-,40-,41-,42-,43?,44?,45+,46-/m0/s1
• InChIKey: PTJIRFINUVRSHN-QOLUDSEZSA-N
• XLogP: 6.67
• TPSA: 101.53 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 21
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	784.94
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-2-ethenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[[(3S,4S,6R)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]oxane?

The IUPAC name of (2S,4S,5S)-2-ethenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[[(3S,4S,6R)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]oxane (CID 146029712) is (2S,4S,5S)-2-ethenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[[(3S,4S,6R)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]oxane.

What is the SMILES notation for (2S,4S,5S)-2-ethenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[[(3S,4S,6R)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]oxane?

The canonical SMILES for (2S,4S,5S)-2-ethenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[[(3S,4S,6R)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]oxane is C=C[C@]1(OCC2O[C@@H](OC)C(OC)[C@@H](OC)[C@H]2OC)OC(COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1OCc1ccccc1.

What is the InChIKey of (2S,4S,5S)-2-ethenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[[(3S,4S,6R)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]oxane?

The InChIKey is PTJIRFINUVRSHN-QOLUDSEZSA-N. The full InChI is InChI=1S/C46H56O11/c1-6-46(55-32-37-39(47-2)41(48-3)43(49-4)45(50-5)56-37)44(54-30-36-25-17-10-18-26-36)42(53-29-35-23-15-9-16-24-35)40(52-28-34-21-13-8-14-22-34)38(57-46)31-51-27-33-19-11-7-12-20-33/h6-26,37-45H,1,27-32H2,2-5H3/t37?,38?,39-,40-,41-,42-,43?,44?,45+,46-/m0/s1.

What are the key properties of (2S,4S,5S)-2-ethenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[[(3S,4S,6R)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]oxane?

(2S,4S,5S)-2-ethenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[[(3S,4S,6R)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]oxane has a molecular weight of 784.94 g/mol, XLogP of 6.67, 21 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S,5S)-2-ethenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[[(3S,4S,6R)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]oxane is sourced from PubChem (CID 146029712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).