[(2R,3R,4S,5R,6S)-6-[[(4aR,6R,7R,8R,8aS)-2,2-ditert-butyl-7-hydroxy-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate

C29H48O15Si — CID 10963390

About [(2R,3R,4S,5R,6S)-6-[[(4aR,6R,7R,8R,8aS)-2,2-ditert-butyl-7-hydroxy-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate

[(2R,3R,4S,5R,6S)-6-[[(4aR,6R,7R,8R,8aS)-2,2-ditert-butyl-7-hydroxy-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate (PubChem CID 10963390) has the molecular formula C29H48O15Si and a molecular weight of 664.77 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6S)-6-[[(4aR,6R,7R,8R,8aS)-2,2-ditert-butyl-7-hydroxy-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5R,6S)-6-[[(4aR,6R,7R,8R,8aS)-2,2-ditert-butyl-7-hydroxy-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
• PubChem CID: 10963390
• Molecular Formula: C29H48O15Si
• Molecular Weight: 664.77 g/mol
• Exact Mass: 664.28
• IUPAC Name: [(2R,3R,4S,5R,6S)-6-[[(4aR,6R,7R,8R,8aS)-2,2-ditert-butyl-7-hydroxy-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
• SMILES: CO[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]2[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H]1O
• InChI: InChI=1S/C29H48O15Si/c1-14(30)36-12-18-21(38-15(2)31)24(39-16(3)32)25(40-17(4)33)27(42-18)43-23-20(34)26(35-11)41-19-13-37-45(28(5,6)7,29(8,9)10)44-22(19)23/h18-27,34H,12-13H2,1-11H3/t18-,19-,20-,21-,22+,23-,24+,25-,26-,27+/m1/s1
• InChIKey: FOFNQERGVTVDRJ-CERFIYQOSA-N
• XLogP: 1.64
• TPSA: 180.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.77
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6S)-6-[[(4aR,6R,7R,8R,8aS)-2,2-ditert-butyl-7-hydroxy-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate?

The IUPAC name of [(2R,3R,4S,5R,6S)-6-[[(4aR,6R,7R,8R,8aS)-2,2-ditert-butyl-7-hydroxy-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate (CID 10963390) is [(2R,3R,4S,5R,6S)-6-[[(4aR,6R,7R,8R,8aS)-2,2-ditert-butyl-7-hydroxy-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate.

What is the SMILES notation for [(2R,3R,4S,5R,6S)-6-[[(4aR,6R,7R,8R,8aS)-2,2-ditert-butyl-7-hydroxy-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate?

The canonical SMILES for [(2R,3R,4S,5R,6S)-6-[[(4aR,6R,7R,8R,8aS)-2,2-ditert-butyl-7-hydroxy-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate is CO[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]2[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H]1O.

What is the InChIKey of [(2R,3R,4S,5R,6S)-6-[[(4aR,6R,7R,8R,8aS)-2,2-ditert-butyl-7-hydroxy-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate?

The InChIKey is FOFNQERGVTVDRJ-CERFIYQOSA-N. The full InChI is InChI=1S/C29H48O15Si/c1-14(30)36-12-18-21(38-15(2)31)24(39-16(3)32)25(40-17(4)33)27(42-18)43-23-20(34)26(35-11)41-19-13-37-45(28(5,6)7,29(8,9)10)44-22(19)23/h18-27,34H,12-13H2,1-11H3/t18-,19-,20-,21-,22+,23-,24+,25-,26-,27+/m1/s1.

What are the key properties of [(2R,3R,4S,5R,6S)-6-[[(4aR,6R,7R,8R,8aS)-2,2-ditert-butyl-7-hydroxy-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate?

[(2R,3R,4S,5R,6S)-6-[[(4aR,6R,7R,8R,8aS)-2,2-ditert-butyl-7-hydroxy-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate has a molecular weight of 664.77 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5R,6S)-6-[[(4aR,6R,7R,8R,8aS)-2,2-ditert-butyl-7-hydroxy-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 10963390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).