(2R,3R,4S,5R,6S)-2-[[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane

C62H66O11 — CID 102575541

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

(2R,3R,4S,5R,6S)-2-[[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane (PubChem CID 102575541) has the molecular formula C62H66O11 and a molecular weight of 987.20 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-[[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane.

Molecular Properties

• Compound Name: (2R,3R,4S,5R,6S)-2-[[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
• PubChem CID: 102575541
• Molecular Formula: C62H66O11
• Molecular Weight: 987.20 g/mol
• Exact Mass: 986.46
• IUPAC Name: (2R,3R,4S,5R,6S)-2-[[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
• SMILES: CO[C@H]1O[C@H](CO[C@]2(COCc3ccccc3)O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
• InChI: InChI=1S/C62H66O11/c1-63-61-59(69-42-52-33-19-7-20-34-52)58(68-41-51-31-17-6-18-32-51)56(66-39-49-27-13-4-14-28-49)54(72-61)45-71-62(46-65-38-48-25-11-3-12-26-48)60(70-43-53-35-21-8-22-36-53)57(67-40-50-29-15-5-16-30-50)55(73-62)44-64-37-47-23-9-2-10-24-47/h2-36,54-61H,37-46H2,1H3/t54-,55-,56-,57-,58+,59-,60+,61+,62-/m1/s1
• InChIKey: WVKZCTYAQQFUPE-GDQXNSIXSA-N
• XLogP: 10.83
• TPSA: 101.53 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 27
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	987.20
LogP ≤ 5	10.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of (2R,3R,4S,5R,6S)-2-[[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane (CID 102575541) is (2R,3R,4S,5R,6S)-2-[[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane.

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

The canonical SMILES for (2R,3R,4S,5R,6S)-2-[[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane is CO[C@H]1O[C@H](CO[C@]2(COCc3ccccc3)O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.

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

The InChIKey is WVKZCTYAQQFUPE-GDQXNSIXSA-N. The full InChI is InChI=1S/C62H66O11/c1-63-61-59(69-42-52-33-19-7-20-34-52)58(68-41-51-31-17-6-18-32-51)56(66-39-49-27-13-4-14-28-49)54(72-61)45-71-62(46-65-38-48-25-11-3-12-26-48)60(70-43-53-35-21-8-22-36-53)57(67-40-50-29-15-5-16-30-50)55(73-62)44-64-37-47-23-9-2-10-24-47/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,5R,6S)-2-[[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane?

(2R,3R,4S,5R,6S)-2-[[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane has a molecular weight of 987.20 g/mol, XLogP of 10.83, 27 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R,6S)-2-[[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane is sourced from PubChem (CID 102575541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).