[(2S,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylselanyloxan-3-yl]oxy-[[(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane

C57H64O10SeSi — CID 10887603

IUPAC[(2S,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylselanyloxan-3-yl]oxy-[[(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane
SMILESC=C1[C@@H](CO[Si](C)(C)O[C@@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)O[C@H]2[Se]c2ccccc2)O[C@H](OC)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C57H64O10SeSi/c1-42-49(65-56(58-2)54(63-39-47-31-19-9-20-32-47)51(42)60-36-44-25-13-6-14-26-44)41-64-69(3,4)67-55-53(62-38-46-29-17-8-18-30-46)52(61-37-45-27-15-7-16-28-45)50(40-59-35-43-23-11-5-12-24-43)66-57(55)68-48-33-21-10-22-34-48/h5-34,49-57H,1,35-41H2,2-4H3/t49-,50-,51+,52-,53+,54-,55-,56+,57+/m1/s1
InChIKeyKWBVJNMUYPKWOP-LJUUYNLNSA-N
MW1016.18 g/mol
LogP9.33
Rot. Bonds24

About [(2S,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylselanyloxan-3-yl]oxy-[[(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane

[(2S,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylselanyloxan-3-yl]oxy-[[(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane (PubChem CID 10887603) has the molecular formula C57H64O10SeSi and a molecular weight of 1016.18 g/mol. Its IUPAC name is [(2S,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylselanyloxan-3-yl]oxy-[[(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Name[(2S,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylselanyloxan-3-yl]oxy-[[(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane
PubChem CID10887603
Molecular FormulaC57H64O10SeSi
Molecular Weight1016.18 g/mol
Exact Mass1016.34
IUPAC Name[(2S,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylselanyloxan-3-yl]oxy-[[(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane
SMILESC=C1[C@@H](CO[Si](C)(C)O[C@@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)O[C@H]2[Se]c2ccccc2)O[C@H](OC)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C57H64O10SeSi/c1-42-49(65-56(58-2)54(63-39-47-31-19-9-20-32-47)51(42)60-36-44-25-13-6-14-26-44)41-64-69(3,4)67-55-53(62-38-46-29-17-8-18-30-46)52(61-37-45-27-15-7-16-28-45)50(40-59-35-43-23-11-5-12-24-43)66-57(55)68-48-33-21-10-22-34-48/h5-34,49-57H,1,35-41H2,2-4H3/t49-,50-,51+,52-,53+,54-,55-,56+,57+/m1/s1
InChIKeyKWBVJNMUYPKWOP-LJUUYNLNSA-N
XLogP9.33
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001016.18
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [(2S,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylselanyloxan-3-yl]oxy-[[(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylselanyloxan-3-yl]oxy-[[(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane?
The IUPAC name of [(2S,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylselanyloxan-3-yl]oxy-[[(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane (CID 10887603) is [(2S,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylselanyloxan-3-yl]oxy-[[(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for [(2S,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylselanyloxan-3-yl]oxy-[[(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for [(2S,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylselanyloxan-3-yl]oxy-[[(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane is C=C1[C@@H](CO[Si](C)(C)O[C@@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)O[C@H]2[Se]c2ccccc2)O[C@H](OC)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of [(2S,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylselanyloxan-3-yl]oxy-[[(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane?
The InChIKey is KWBVJNMUYPKWOP-LJUUYNLNSA-N. The full InChI is InChI=1S/C57H64O10SeSi/c1-42-49(65-56(58-2)54(63-39-47-31-19-9-20-32-47)51(42)60-36-44-25-13-6-14-26-44)41-64-69(3,4)67-55-53(62-38-46-29-17-8-18-30-46)52(61-37-45-27-15-7-16-28-45)50(40-59-35-43-23-11-5-12-24-43)66-57(55)68-48-33-21-10-22-34-48/h5-34,49-57H,1,35-41H2,2-4H3/t49-,50-,51+,52-,53+,54-,55-,56+,57+/m1/s1.
What are the key properties of [(2S,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylselanyloxan-3-yl]oxy-[[(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane?
[(2S,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylselanyloxan-3-yl]oxy-[[(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane has a molecular weight of 1016.18 g/mol, XLogP of 9.33, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylselanyloxan-3-yl]oxy-[[(2S,4S,5R,6S)-6-methoxy-3-methylidene-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 10887603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).