[(2R,3S,5R)-5-[(2R,3R,5R)-4-[[(2R,3aR)-2-phenyl-6a-(phenylmethoxymethyl)-4,6-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-3,6-dimethyl-4-[(2S,3R,5S)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-tri(propan-2-yl)silane

C76H98O15Si — CID 58537490

About [(2R,3S,5R)-5-[(2R,3R,5R)-4-[[(2R,3aR)-2-phenyl-6a-(phenylmethoxymethyl)-4,6-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-3,6-dimethyl-4-[(2S,3R,5S)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-tri(propan-2-yl)silane

[(2R,3S,5R)-5-[(2R,3R,5R)-4-[[(2R,3aR)-2-phenyl-6a-(phenylmethoxymethyl)-4,6-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-3,6-dimethyl-4-[(2S,3R,5S)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-tri(propan-2-yl)silane (PubChem CID 58537490) has the molecular formula C76H98O15Si and a molecular weight of 1279.69 g/mol. Its IUPAC name is [(2R,3S,5R)-5-[(2R,3R,5R)-4-[[(2R,3aR)-2-phenyl-6a-(phenylmethoxymethyl)-4,6-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-3,6-dimethyl-4-[(2S,3R,5S)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [(2R,3S,5R)-5-[(2R,3R,5R)-4-[[(2R,3aR)-2-phenyl-6a-(phenylmethoxymethyl)-4,6-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-3,6-dimethyl-4-[(2S,3R,5S)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-tri(propan-2-yl)silane
• PubChem CID: 58537490
• Molecular Formula: C76H98O15Si
• Molecular Weight: 1279.69 g/mol
• Exact Mass: 1278.67
• IUPAC Name: [(2R,3S,5R)-5-[(2R,3R,5R)-4-[[(2R,3aR)-2-phenyl-6a-(phenylmethoxymethyl)-4,6-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-3,6-dimethyl-4-[(2S,3R,5S)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-tri(propan-2-yl)silane
• SMILES: CC1O[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C(O[C@H]2OC(COCc3ccccc3)[C@@H](OCc3ccccc3)C(OCc3ccccc3)[C@H]2C)[C@@H]1O[C@H]1OC[C@@H](C)C(O[C@@]23COCC2(COCc2ccccc2)O[C@@H](c2ccccc2)O3)[C@H]1OCc1ccccc1
• InChI: InChI=1S/C76H98O15Si/c1-51(2)92(52(3)4,53(5)6)91-72-56(9)67(86-71-55(8)66(80-44-60-33-21-13-22-34-60)69(81-45-61-35-23-14-24-36-61)64(85-71)47-77-42-58-29-17-11-18-30-58)68(57(10)84-72)87-74-70(82-46-62-37-25-15-26-38-62)65(54(7)41-83-74)88-76-50-79-49-75(76,48-78-43-59-31-19-12-20-32-59)89-73(90-76)63-39-27-16-28-40-63/h11-40,51-57,64-74H,41-50H2,1-10H3/t54-,55-,56+,57?,64?,65?,66?,67?,68-,69-,70-,71-,72-,73-,74-,75?,76-/m1/s1
• InChIKey: QCKLQDRURYRCTL-WIQWJHCBSA-N
• XLogP: 14.47
• TPSA: 138.45 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 29
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1279.69
LogP ≤ 5	14.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-5-[(2R,3R,5R)-4-[[(2R,3aR)-2-phenyl-6a-(phenylmethoxymethyl)-4,6-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-3,6-dimethyl-4-[(2S,3R,5S)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-tri(propan-2-yl)silane?

The IUPAC name of [(2R,3S,5R)-5-[(2R,3R,5R)-4-[[(2R,3aR)-2-phenyl-6a-(phenylmethoxymethyl)-4,6-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-3,6-dimethyl-4-[(2S,3R,5S)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-tri(propan-2-yl)silane (CID 58537490) is [(2R,3S,5R)-5-[(2R,3R,5R)-4-[[(2R,3aR)-2-phenyl-6a-(phenylmethoxymethyl)-4,6-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-3,6-dimethyl-4-[(2S,3R,5S)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-tri(propan-2-yl)silane.

What is the SMILES notation for [(2R,3S,5R)-5-[(2R,3R,5R)-4-[[(2R,3aR)-2-phenyl-6a-(phenylmethoxymethyl)-4,6-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-3,6-dimethyl-4-[(2S,3R,5S)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-tri(propan-2-yl)silane?

The canonical SMILES for [(2R,3S,5R)-5-[(2R,3R,5R)-4-[[(2R,3aR)-2-phenyl-6a-(phenylmethoxymethyl)-4,6-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-3,6-dimethyl-4-[(2S,3R,5S)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-tri(propan-2-yl)silane is CC1O[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C(O[C@H]2OC(COCc3ccccc3)[C@@H](OCc3ccccc3)C(OCc3ccccc3)[C@H]2C)[C@@H]1O[C@H]1OC[C@@H](C)C(O[C@@]23COCC2(COCc2ccccc2)O[C@@H](c2ccccc2)O3)[C@H]1OCc1ccccc1.

What is the InChIKey of [(2R,3S,5R)-5-[(2R,3R,5R)-4-[[(2R,3aR)-2-phenyl-6a-(phenylmethoxymethyl)-4,6-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-3,6-dimethyl-4-[(2S,3R,5S)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-tri(propan-2-yl)silane?

The InChIKey is QCKLQDRURYRCTL-WIQWJHCBSA-N. The full InChI is InChI=1S/C76H98O15Si/c1-51(2)92(52(3)4,53(5)6)91-72-56(9)67(86-71-55(8)66(80-44-60-33-21-13-22-34-60)69(81-45-61-35-23-14-24-36-61)64(85-71)47-77-42-58-29-17-11-18-30-58)68(57(10)84-72)87-74-70(82-46-62-37-25-15-26-38-62)65(54(7)41-83-74)88-76-50-79-49-75(76,48-78-43-59-31-19-12-20-32-59)89-73(90-76)63-39-27-16-28-40-63/h11-40,51-57,64-74H,41-50H2,1-10H3/t54-,55-,56+,57?,64?,65?,66?,67?,68-,69-,70-,71-,72-,73-,74-,75?,76-/m1/s1.

What are the key properties of [(2R,3S,5R)-5-[(2R,3R,5R)-4-[[(2R,3aR)-2-phenyl-6a-(phenylmethoxymethyl)-4,6-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-3,6-dimethyl-4-[(2S,3R,5S)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-tri(propan-2-yl)silane?

[(2R,3S,5R)-5-[(2R,3R,5R)-4-[[(2R,3aR)-2-phenyl-6a-(phenylmethoxymethyl)-4,6-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-3,6-dimethyl-4-[(2S,3R,5S)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 1279.69 g/mol, XLogP of 14.47, 29 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,5R)-5-[(2R,3R,5R)-4-[[(2R,3aR)-2-phenyl-6a-(phenylmethoxymethyl)-4,6-dihydrofuro[3,4-d][1,3]dioxol-3a-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-3,6-dimethyl-4-[(2S,3R,5S)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 58537490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).