(2S,3R,4R,5S,6S)-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-methyl-4-phenylmethoxyoxane-3,5-diol

C41H48O10 — CID 101238570

About (2S,3R,4R,5S,6S)-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-methyl-4-phenylmethoxyoxane-3,5-diol

(2S,3R,4R,5S,6S)-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-methyl-4-phenylmethoxyoxane-3,5-diol (PubChem CID 101238570) has the molecular formula C41H48O10 and a molecular weight of 700.83 g/mol. Its IUPAC name is (2S,3R,4R,5S,6S)-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-methyl-4-phenylmethoxyoxane-3,5-diol.

Molecular Properties

• Compound Name: (2S,3R,4R,5S,6S)-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-methyl-4-phenylmethoxyoxane-3,5-diol
• PubChem CID: 101238570
• Molecular Formula: C41H48O10
• Molecular Weight: 700.83 g/mol
• Exact Mass: 700.32
• IUPAC Name: (2S,3R,4R,5S,6S)-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-methyl-4-phenylmethoxyoxane-3,5-diol
• SMILES: CO[C@H]1O[C@H](CO[C@H]2O[C@@H](C)[C@H](O)[C@@H](OCc3ccccc3)[C@H]2O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
• InChI: InChI=1S/C41H48O10/c1-28-34(42)37(46-24-30-17-9-4-10-18-30)35(43)40(50-28)49-27-33-36(45-23-29-15-7-3-8-16-29)38(47-25-31-19-11-5-12-20-31)39(41(44-2)51-33)48-26-32-21-13-6-14-22-32/h3-22,28,33-43H,23-27H2,1-2H3/t28-,33+,34-,35+,36+,37+,38-,39+,40-,41-/m0/s1
• InChIKey: PGRQQPYIEDJUBC-HKPVSNPTSA-N
• XLogP: 5.18
• TPSA: 114.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.83
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6S)-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-methyl-4-phenylmethoxyoxane-3,5-diol?

The IUPAC name of (2S,3R,4R,5S,6S)-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-methyl-4-phenylmethoxyoxane-3,5-diol (CID 101238570) is (2S,3R,4R,5S,6S)-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-methyl-4-phenylmethoxyoxane-3,5-diol.

What is the SMILES notation for (2S,3R,4R,5S,6S)-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-methyl-4-phenylmethoxyoxane-3,5-diol?

The canonical SMILES for (2S,3R,4R,5S,6S)-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-methyl-4-phenylmethoxyoxane-3,5-diol is CO[C@H]1O[C@H](CO[C@H]2O[C@@H](C)[C@H](O)[C@@H](OCc3ccccc3)[C@H]2O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.

What is the InChIKey of (2S,3R,4R,5S,6S)-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-methyl-4-phenylmethoxyoxane-3,5-diol?

The InChIKey is PGRQQPYIEDJUBC-HKPVSNPTSA-N. The full InChI is InChI=1S/C41H48O10/c1-28-34(42)37(46-24-30-17-9-4-10-18-30)35(43)40(50-28)49-27-33-36(45-23-29-15-7-3-8-16-29)38(47-25-31-19-11-5-12-20-31)39(41(44-2)51-33)48-26-32-21-13-6-14-22-32/h3-22,28,33-43H,23-27H2,1-2H3/t28-,33+,34-,35+,36+,37+,38-,39+,40-,41-/m0/s1.

What are the key properties of (2S,3R,4R,5S,6S)-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-methyl-4-phenylmethoxyoxane-3,5-diol?

(2S,3R,4R,5S,6S)-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-methyl-4-phenylmethoxyoxane-3,5-diol has a molecular weight of 700.83 g/mol, XLogP of 5.18, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4R,5S,6S)-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-methyl-4-phenylmethoxyoxane-3,5-diol is sourced from PubChem (CID 101238570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).