N-[(2S,5R)-2-[(3S,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(3S,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-6-(phenylmethoxymethyl)-4-triethylsilyloxy-5-[(2S,5R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]benzenesulfonamide

C71H89NO20SSi — CID 134837377

About N-[(2S,5R)-2-[(3S,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(3S,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-6-(phenylmethoxymethyl)-4-triethylsilyloxy-5-[(2S,5R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]benzenesulfonamide

N-[(2S,5R)-2-[(3S,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(3S,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-6-(phenylmethoxymethyl)-4-triethylsilyloxy-5-[(2S,5R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]benzenesulfonamide (PubChem CID 134837377) has the molecular formula C71H89NO20SSi and a molecular weight of 1336.63 g/mol. Its IUPAC name is N-[(2S,5R)-2-[(3S,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(3S,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-6-(phenylmethoxymethyl)-4-triethylsilyloxy-5-[(2S,5R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[(2S,5R)-2-[(3S,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(3S,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-6-(phenylmethoxymethyl)-4-triethylsilyloxy-5-[(2S,5R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]benzenesulfonamide
• PubChem CID: 134837377
• Molecular Formula: C71H89NO20SSi
• Molecular Weight: 1336.63 g/mol
• Exact Mass: 1335.55
• IUPAC Name: N-[(2S,5R)-2-[(3S,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(3S,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-6-(phenylmethoxymethyl)-4-triethylsilyloxy-5-[(2S,5R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]benzenesulfonamide
• SMILES: CC[Si](CC)(CC)OC1C(NS(=O)(=O)c2ccccc2)[C@H](OC2C(O)[C@H](O[C@@H]3C(COCc4ccccc4)OC=C[C@H]3OCc3ccccc3)OC(COCc3ccccc3)[C@@H]2O)OC(COCc2ccccc2)[C@H]1O[C@@H]1OC(COCc2ccccc2)[C@H](O)C(O)C1O
• InChI: InChI=1S/C71H89NO20SSi/c1-4-94(5-2,6-3)92-67-59(72-93(78,79)53-35-23-12-24-36-53)69(88-58(47-83-42-51-31-19-10-20-32-51)66(67)90-70-63(76)62(75)60(73)55(86-70)44-80-39-48-25-13-7-14-26-48)91-68-61(74)56(45-81-40-49-27-15-8-16-28-49)87-71(64(68)77)89-65-54(85-43-52-33-21-11-22-34-52)37-38-84-57(65)46-82-41-50-29-17-9-18-30-50/h7-38,54-77H,4-6,39-47H2,1-3H3/t54-,55?,56?,57?,58?,59?,60+,61+,62?,63?,64?,65+,66-,67?,68?,69+,70+,71+/m1/s1
• InChIKey: WXKNTXZNIFEXHZ-YNVXKHCSSA-N
• XLogP: 7.22
• TPSA: 267.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 33
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1336.63
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S,5R)-2-[(3S,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(3S,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-6-(phenylmethoxymethyl)-4-triethylsilyloxy-5-[(2S,5R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]benzenesulfonamide?

The IUPAC name of N-[(2S,5R)-2-[(3S,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(3S,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-6-(phenylmethoxymethyl)-4-triethylsilyloxy-5-[(2S,5R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]benzenesulfonamide (CID 134837377) is N-[(2S,5R)-2-[(3S,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(3S,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-6-(phenylmethoxymethyl)-4-triethylsilyloxy-5-[(2S,5R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]benzenesulfonamide.

What is the SMILES notation for N-[(2S,5R)-2-[(3S,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(3S,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-6-(phenylmethoxymethyl)-4-triethylsilyloxy-5-[(2S,5R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]benzenesulfonamide?

The canonical SMILES for N-[(2S,5R)-2-[(3S,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(3S,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-6-(phenylmethoxymethyl)-4-triethylsilyloxy-5-[(2S,5R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]benzenesulfonamide is CC[Si](CC)(CC)OC1C(NS(=O)(=O)c2ccccc2)[C@H](OC2C(O)[C@H](O[C@@H]3C(COCc4ccccc4)OC=C[C@H]3OCc3ccccc3)OC(COCc3ccccc3)[C@@H]2O)OC(COCc2ccccc2)[C@H]1O[C@@H]1OC(COCc2ccccc2)[C@H](O)C(O)C1O.

What is the InChIKey of N-[(2S,5R)-2-[(3S,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(3S,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-6-(phenylmethoxymethyl)-4-triethylsilyloxy-5-[(2S,5R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]benzenesulfonamide?

The InChIKey is WXKNTXZNIFEXHZ-YNVXKHCSSA-N. The full InChI is InChI=1S/C71H89NO20SSi/c1-4-94(5-2,6-3)92-67-59(72-93(78,79)53-35-23-12-24-36-53)69(88-58(47-83-42-51-31-19-10-20-32-51)66(67)90-70-63(76)62(75)60(73)55(86-70)44-80-39-48-25-13-7-14-26-48)91-68-61(74)56(45-81-40-49-27-15-8-16-28-49)87-71(64(68)77)89-65-54(85-43-52-33-21-11-22-34-52)37-38-84-57(65)46-82-41-50-29-17-9-18-30-50/h7-38,54-77H,4-6,39-47H2,1-3H3/t54-,55?,56?,57?,58?,59?,60+,61+,62?,63?,64?,65+,66-,67?,68?,69+,70+,71+/m1/s1.

What are the key properties of N-[(2S,5R)-2-[(3S,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(3S,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-6-(phenylmethoxymethyl)-4-triethylsilyloxy-5-[(2S,5R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]benzenesulfonamide?

N-[(2S,5R)-2-[(3S,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(3S,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-6-(phenylmethoxymethyl)-4-triethylsilyloxy-5-[(2S,5R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]benzenesulfonamide has a molecular weight of 1336.63 g/mol, XLogP of 7.22, 33 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,5R)-2-[(3S,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(3S,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-6-(phenylmethoxymethyl)-4-triethylsilyloxy-5-[(2S,5R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]benzenesulfonamide is sourced from PubChem (CID 134837377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).