[(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl methanesulfonate

C62H66O13S — CID 122211489

About [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl methanesulfonate

[(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl methanesulfonate (PubChem CID 122211489) has the molecular formula C62H66O13S and a molecular weight of 1051.26 g/mol. Its IUPAC name is [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl methanesulfonate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl methanesulfonate
• PubChem CID: 122211489
• Molecular Formula: C62H66O13S
• Molecular Weight: 1051.26 g/mol
• Exact Mass: 1050.42
• IUPAC Name: [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl methanesulfonate
• SMILES: CS(=O)(=O)OC[C@H]1O[C@@](COCc2ccccc2)(O[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
• InChI: InChI=1S/C62H66O13S/c1-76(63,64)72-45-55-57(68-40-50-29-15-5-16-30-50)60(71-43-53-35-21-8-22-36-53)62(74-55,46-66-38-48-25-11-3-12-26-48)75-61-59(70-42-52-33-19-7-20-34-52)58(69-41-51-31-17-6-18-32-51)56(67-39-49-27-13-4-14-28-49)54(73-61)44-65-37-47-23-9-2-10-24-47/h2-36,54-61H,37-46H2,1H3/t54-,55-,56-,57-,58+,59-,60+,61-,62+/m1/s1
• InChIKey: XPWGQEHZZYYSHK-WPAVICEHSA-N
• XLogP: 10.16
• TPSA: 135.67 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 28
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1051.26
LogP ≤ 5	10.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl methanesulfonate?

The IUPAC name of [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl methanesulfonate (CID 122211489) is [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl methanesulfonate.

What is the SMILES notation for [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl methanesulfonate?

The canonical SMILES for [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl methanesulfonate is CS(=O)(=O)OC[C@H]1O[C@@](COCc2ccccc2)(O[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.

What is the InChIKey of [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl methanesulfonate?

The InChIKey is XPWGQEHZZYYSHK-WPAVICEHSA-N. The full InChI is InChI=1S/C62H66O13S/c1-76(63,64)72-45-55-57(68-40-50-29-15-5-16-30-50)60(71-43-53-35-21-8-22-36-53)62(74-55,46-66-38-48-25-11-3-12-26-48)75-61-59(70-42-52-33-19-7-20-34-52)58(69-41-51-31-17-6-18-32-51)56(67-39-49-27-13-4-14-28-49)54(73-61)44-65-37-47-23-9-2-10-24-47/h2-36,54-61H,37-46H2,1H3/t54-,55-,56-,57-,58+,59-,60+,61-,62+/m1/s1.

What are the key properties of [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl methanesulfonate?

[(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl methanesulfonate has a molecular weight of 1051.26 g/mol, XLogP of 10.16, 28 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl methanesulfonate is sourced from PubChem (CID 122211489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).