(3aS,6R)-6-[[(3R)-3-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]-7-[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-[tri(propan-2-yl)silyloxymethyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one

C58H86O14Si2 — CID 54241237

About (3aS,6R)-6-[[(3R)-3-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]-7-[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-[tri(propan-2-yl)silyloxymethyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one

(3aS,6R)-6-[[(3R)-3-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]-7-[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-[tri(propan-2-yl)silyloxymethyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one (PubChem CID 54241237) has the molecular formula C58H86O14Si2 and a molecular weight of 1063.48 g/mol. Its IUPAC name is (3aS,6R)-6-[[(3R)-3-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]-7-[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-[tri(propan-2-yl)silyloxymethyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one.

Molecular Properties

• Compound Name: (3aS,6R)-6-[[(3R)-3-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]-7-[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-[tri(propan-2-yl)silyloxymethyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
• PubChem CID: 54241237
• Molecular Formula: C58H86O14Si2
• Molecular Weight: 1063.48 g/mol
• Exact Mass: 1062.56
• IUPAC Name: (3aS,6R)-6-[[(3R)-3-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]-7-[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-[tri(propan-2-yl)silyloxymethyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
• SMILES: CC1O[C@@H](OC2C3OC(=O)O[C@H]3C(CO[Si](C(C)C)(C(C)C)C(C)C)O[C@H]2OC2C=COC(CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2O)C(OCc2ccccc2)C(OCc2ccccc2)[C@@H]1OCc1ccccc1
• InChI: InChI=1S/C58H86O14Si2/c1-36(2)73(37(3)4,38(5)6)65-34-47-49(59)46(29-30-61-47)68-57-55(53-51(71-58(60)72-53)48(69-57)35-66-74(39(7)8,40(9)10)41(11)12)70-56-54(64-33-45-27-21-16-22-28-45)52(63-32-44-25-19-15-20-26-44)50(42(13)67-56)62-31-43-23-17-14-18-24-43/h14-30,36-42,46-57,59H,31-35H2,1-13H3/t42?,46?,47?,48?,49-,50-,51+,52?,53?,54?,55?,56+,57-/m1/s1
• InChIKey: QQDPTIWLMWCDNT-LWMCPATFSA-N
• XLogP: 11.54
• TPSA: 148.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 25
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1063.48
LogP ≤ 5	11.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3aS,6R)-6-[[(3R)-3-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]-7-[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-[tri(propan-2-yl)silyloxymethyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one?

The IUPAC name of (3aS,6R)-6-[[(3R)-3-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]-7-[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-[tri(propan-2-yl)silyloxymethyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one (CID 54241237) is (3aS,6R)-6-[[(3R)-3-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]-7-[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-[tri(propan-2-yl)silyloxymethyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one.

What is the SMILES notation for (3aS,6R)-6-[[(3R)-3-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]-7-[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-[tri(propan-2-yl)silyloxymethyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one?

The canonical SMILES for (3aS,6R)-6-[[(3R)-3-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]-7-[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-[tri(propan-2-yl)silyloxymethyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one is CC1O[C@@H](OC2C3OC(=O)O[C@H]3C(CO[Si](C(C)C)(C(C)C)C(C)C)O[C@H]2OC2C=COC(CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2O)C(OCc2ccccc2)C(OCc2ccccc2)[C@@H]1OCc1ccccc1.

What is the InChIKey of (3aS,6R)-6-[[(3R)-3-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]-7-[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-[tri(propan-2-yl)silyloxymethyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one?

The InChIKey is QQDPTIWLMWCDNT-LWMCPATFSA-N. The full InChI is InChI=1S/C58H86O14Si2/c1-36(2)73(37(3)4,38(5)6)65-34-47-49(59)46(29-30-61-47)68-57-55(53-51(71-58(60)72-53)48(69-57)35-66-74(39(7)8,40(9)10)41(11)12)70-56-54(64-33-45-27-21-16-22-28-45)52(63-32-44-25-19-15-20-26-44)50(42(13)67-56)62-31-43-23-17-14-18-24-43/h14-30,36-42,46-57,59H,31-35H2,1-13H3/t42?,46?,47?,48?,49-,50-,51+,52?,53?,54?,55?,56+,57-/m1/s1.

What are the key properties of (3aS,6R)-6-[[(3R)-3-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]-7-[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-[tri(propan-2-yl)silyloxymethyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one?

(3aS,6R)-6-[[(3R)-3-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]-7-[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-[tri(propan-2-yl)silyloxymethyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one has a molecular weight of 1063.48 g/mol, XLogP of 11.54, 25 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (3aS,6R)-6-[[(3R)-3-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]-7-[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-[tri(propan-2-yl)silyloxymethyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one is sourced from PubChem (CID 54241237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).