5-[(2S,4R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfanyl-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

C55H60O9S — CID 126611958

About 5-[(2S,4R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfanyl-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

5-[(2S,4R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfanyl-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (PubChem CID 126611958) has the molecular formula C55H60O9S and a molecular weight of 897.14 g/mol. Its IUPAC name is 5-[(2S,4R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfanyl-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.

Molecular Properties

• Compound Name: 5-[(2S,4R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfanyl-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
• PubChem CID: 126611958
• Molecular Formula: C55H60O9S
• Molecular Weight: 897.14 g/mol
• Exact Mass: 896.40
• IUPAC Name: 5-[(2S,4R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfanyl-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
• SMILES: COC1OC(COCc2ccccc2)C(S[C@H]2C[C@@H](OCc3ccccc3)C(OCc3ccccc3)C(COCc3ccccc3)O2)C(OCc2ccccc2)C1OCc1ccccc1
• InChI: InChI=1S/C55H60O9S/c1-56-55-53(62-38-46-30-18-7-19-31-46)52(61-37-45-28-16-6-17-29-45)54(49(64-55)40-58-34-42-22-10-3-11-23-42)65-50-32-47(59-35-43-24-12-4-13-25-43)51(60-36-44-26-14-5-15-27-44)48(63-50)39-57-33-41-20-8-2-9-21-41/h2-31,47-55H,32-40H2,1H3/t47-,48?,49?,50+,51?,52?,53?,54?,55?/m1/s1
• InChIKey: DCSKALZSDGZRAP-WCTPLMLZSA-N
• XLogP: 10.35
• TPSA: 83.07 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 23
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	897.14
LogP ≤ 5	10.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfanyl-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?

The IUPAC name of 5-[(2S,4R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfanyl-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (CID 126611958) is 5-[(2S,4R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfanyl-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.

What is the SMILES notation for 5-[(2S,4R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfanyl-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?

The canonical SMILES for 5-[(2S,4R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfanyl-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is COC1OC(COCc2ccccc2)C(S[C@H]2C[C@@H](OCc3ccccc3)C(OCc3ccccc3)C(COCc3ccccc3)O2)C(OCc2ccccc2)C1OCc1ccccc1.

What is the InChIKey of 5-[(2S,4R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfanyl-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?

The InChIKey is DCSKALZSDGZRAP-WCTPLMLZSA-N. The full InChI is InChI=1S/C55H60O9S/c1-56-55-53(62-38-46-30-18-7-19-31-46)52(61-37-45-28-16-6-17-29-45)54(49(64-55)40-58-34-42-22-10-3-11-23-42)65-50-32-47(59-35-43-24-12-4-13-25-43)51(60-36-44-26-14-5-15-27-44)48(63-50)39-57-33-41-20-8-2-9-21-41/h2-31,47-55H,32-40H2,1H3/t47-,48?,49?,50+,51?,52?,53?,54?,55?/m1/s1.

What are the key properties of 5-[(2S,4R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfanyl-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?

5-[(2S,4R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfanyl-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane has a molecular weight of 897.14 g/mol, XLogP of 10.35, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2S,4R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfanyl-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 126611958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).