[(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methoxy]-5-trimethylsilyloxyoxan-2-yl]methyl acetate

C49H60O14Si — CID 59051820

About [(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methoxy]-5-trimethylsilyloxyoxan-2-yl]methyl acetate

[(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methoxy]-5-trimethylsilyloxyoxan-2-yl]methyl acetate (PubChem CID 59051820) has the molecular formula C49H60O14Si and a molecular weight of 901.09 g/mol. Its IUPAC name is [(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methoxy]-5-trimethylsilyloxyoxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methoxy]-5-trimethylsilyloxyoxan-2-yl]methyl acetate
• PubChem CID: 59051820
• Molecular Formula: C49H60O14Si
• Molecular Weight: 901.09 g/mol
• Exact Mass: 900.38
• IUPAC Name: [(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methoxy]-5-trimethylsilyloxyoxan-2-yl]methyl acetate
• SMILES: CC(=O)OC[C@H]1O[C@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@@H](O[Si](C)(C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
• InChI: InChI=1S/C49H60O14Si/c1-33(50)53-31-41-43(59-34(2)51)45(60-35(3)52)47(63-64(4,5)6)49(62-41)58-32-40-42(54-27-36-19-11-7-12-20-36)44(55-28-37-21-13-8-14-22-37)46(56-29-38-23-15-9-16-24-38)48(61-40)57-30-39-25-17-10-18-26-39/h7-26,40-49H,27-32H2,1-6H3/t40-,41-,42-,43-,44+,45+,46-,47+,48-,49+/m1/s1
• InChIKey: QMLAAEHDCTYCAU-AXAVGBIXSA-N
• XLogP: 7.07
• TPSA: 152.74 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	901.09
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methoxy]-5-trimethylsilyloxyoxan-2-yl]methyl acetate?

The IUPAC name of [(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methoxy]-5-trimethylsilyloxyoxan-2-yl]methyl acetate (CID 59051820) is [(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methoxy]-5-trimethylsilyloxyoxan-2-yl]methyl acetate.

What is the SMILES notation for [(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methoxy]-5-trimethylsilyloxyoxan-2-yl]methyl acetate?

The canonical SMILES for [(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methoxy]-5-trimethylsilyloxyoxan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@@H](O[Si](C)(C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.

What is the InChIKey of [(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methoxy]-5-trimethylsilyloxyoxan-2-yl]methyl acetate?

The InChIKey is QMLAAEHDCTYCAU-AXAVGBIXSA-N. The full InChI is InChI=1S/C49H60O14Si/c1-33(50)53-31-41-43(59-34(2)51)45(60-35(3)52)47(63-64(4,5)6)49(62-41)58-32-40-42(54-27-36-19-11-7-12-20-36)44(55-28-37-21-13-8-14-22-37)46(56-29-38-23-15-9-16-24-38)48(61-40)57-30-39-25-17-10-18-26-39/h7-26,40-49H,27-32H2,1-6H3/t40-,41-,42-,43-,44+,45+,46-,47+,48-,49+/m1/s1.

What are the key properties of [(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methoxy]-5-trimethylsilyloxyoxan-2-yl]methyl acetate?

[(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methoxy]-5-trimethylsilyloxyoxan-2-yl]methyl acetate has a molecular weight of 901.09 g/mol, XLogP of 7.07, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methoxy]-5-trimethylsilyloxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 59051820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).