[(3aR,4S,6S,7S,7aR)-7-[(2S,3R,4S,5R)-4-[[(2R,3aR,6S,6aR)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3,5-bis(phenylmethoxy)oxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy-tri(propan-2-yl)silane

C56H74O13Si — CID 24879793

About [(3aR,4S,6S,7S,7aR)-7-[(2S,3R,4S,5R)-4-[[(2R,3aR,6S,6aR)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3,5-bis(phenylmethoxy)oxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy-tri(propan-2-yl)silane

[(3aR,4S,6S,7S,7aR)-7-[(2S,3R,4S,5R)-4-[[(2R,3aR,6S,6aR)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3,5-bis(phenylmethoxy)oxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy-tri(propan-2-yl)silane (PubChem CID 24879793) has the molecular formula C56H74O13Si and a molecular weight of 983.28 g/mol. Its IUPAC name is [(3aR,4S,6S,7S,7aR)-7-[(2S,3R,4S,5R)-4-[[(2R,3aR,6S,6aR)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3,5-bis(phenylmethoxy)oxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [(3aR,4S,6S,7S,7aR)-7-[(2S,3R,4S,5R)-4-[[(2R,3aR,6S,6aR)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3,5-bis(phenylmethoxy)oxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy-tri(propan-2-yl)silane
• PubChem CID: 24879793
• Molecular Formula: C56H74O13Si
• Molecular Weight: 983.28 g/mol
• Exact Mass: 982.49
• IUPAC Name: [(3aR,4S,6S,7S,7aR)-7-[(2S,3R,4S,5R)-4-[[(2R,3aR,6S,6aR)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3,5-bis(phenylmethoxy)oxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy-tri(propan-2-yl)silane
• SMILES: CC(C)[Si](O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2OC[C@@H](OCc3ccccc3)[C@H](O[C@@H]3OC[C@@]4(COCc5ccccc5)O[C@H](c5ccccc5)O[C@@H]34)[C@H]2OCc2ccccc2)[C@H]2OC(C)(C)O[C@@H]12)(C(C)C)C(C)C
• InChI: InChI=1S/C56H74O13Si/c1-36(2)70(37(3)4,38(5)6)69-53-49-47(66-55(8,9)67-49)45(39(7)62-53)63-52-48(59-32-42-26-18-12-19-27-42)46(44(33-60-52)58-31-41-24-16-11-17-25-41)64-54-50-56(35-61-54,34-57-30-40-22-14-10-15-23-40)68-51(65-50)43-28-20-13-21-29-43/h10-29,36-39,44-54H,30-35H2,1-9H3/t39-,44+,45-,46-,47+,48+,49+,50-,51+,52-,53-,54-,56+/m0/s1
• InChIKey: LIXHLEHVLFNSCM-NVERQHBASA-N
• XLogP: 10.17
• TPSA: 119.99 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 20
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	983.28
LogP ≤ 5	10.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3aR,4S,6S,7S,7aR)-7-[(2S,3R,4S,5R)-4-[[(2R,3aR,6S,6aR)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3,5-bis(phenylmethoxy)oxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy-tri(propan-2-yl)silane?

The IUPAC name of [(3aR,4S,6S,7S,7aR)-7-[(2S,3R,4S,5R)-4-[[(2R,3aR,6S,6aR)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3,5-bis(phenylmethoxy)oxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy-tri(propan-2-yl)silane (CID 24879793) is [(3aR,4S,6S,7S,7aR)-7-[(2S,3R,4S,5R)-4-[[(2R,3aR,6S,6aR)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3,5-bis(phenylmethoxy)oxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy-tri(propan-2-yl)silane.

What is the SMILES notation for [(3aR,4S,6S,7S,7aR)-7-[(2S,3R,4S,5R)-4-[[(2R,3aR,6S,6aR)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3,5-bis(phenylmethoxy)oxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy-tri(propan-2-yl)silane?

The canonical SMILES for [(3aR,4S,6S,7S,7aR)-7-[(2S,3R,4S,5R)-4-[[(2R,3aR,6S,6aR)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3,5-bis(phenylmethoxy)oxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2OC[C@@H](OCc3ccccc3)[C@H](O[C@@H]3OC[C@@]4(COCc5ccccc5)O[C@H](c5ccccc5)O[C@@H]34)[C@H]2OCc2ccccc2)[C@H]2OC(C)(C)O[C@@H]12)(C(C)C)C(C)C.

What is the InChIKey of [(3aR,4S,6S,7S,7aR)-7-[(2S,3R,4S,5R)-4-[[(2R,3aR,6S,6aR)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3,5-bis(phenylmethoxy)oxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy-tri(propan-2-yl)silane?

The InChIKey is LIXHLEHVLFNSCM-NVERQHBASA-N. The full InChI is InChI=1S/C56H74O13Si/c1-36(2)70(37(3)4,38(5)6)69-53-49-47(66-55(8,9)67-49)45(39(7)62-53)63-52-48(59-32-42-26-18-12-19-27-42)46(44(33-60-52)58-31-41-24-16-11-17-25-41)64-54-50-56(35-61-54,34-57-30-40-22-14-10-15-23-40)68-51(65-50)43-28-20-13-21-29-43/h10-29,36-39,44-54H,30-35H2,1-9H3/t39-,44+,45-,46-,47+,48+,49+,50-,51+,52-,53-,54-,56+/m0/s1.

What are the key properties of [(3aR,4S,6S,7S,7aR)-7-[(2S,3R,4S,5R)-4-[[(2R,3aR,6S,6aR)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3,5-bis(phenylmethoxy)oxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy-tri(propan-2-yl)silane?

[(3aR,4S,6S,7S,7aR)-7-[(2S,3R,4S,5R)-4-[[(2R,3aR,6S,6aR)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3,5-bis(phenylmethoxy)oxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 983.28 g/mol, XLogP of 10.17, 20 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [(3aR,4S,6S,7S,7aR)-7-[(2S,3R,4S,5R)-4-[[(2R,3aR,6S,6aR)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-3,5-bis(phenylmethoxy)oxan-2-yl]oxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 24879793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).