methyl (2R)-2-[(3S)-3,3a,4-triacetyloxy-7-methoxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate

C23H38O12Si — CID 135015991

About methyl (2R)-2-[(3S)-3,3a,4-triacetyloxy-7-methoxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate

methyl (2R)-2-[(3S)-3,3a,4-triacetyloxy-7-methoxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate (PubChem CID 135015991) has the molecular formula C23H38O12Si and a molecular weight of 534.63 g/mol. Its IUPAC name is methyl (2R)-2-[(3S)-3,3a,4-triacetyloxy-7-methoxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate.

Molecular Properties

• Compound Name: methyl (2R)-2-[(3S)-3,3a,4-triacetyloxy-7-methoxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate
• PubChem CID: 135015991
• Molecular Formula: C23H38O12Si
• Molecular Weight: 534.63 g/mol
• Exact Mass: 534.21
• IUPAC Name: methyl (2R)-2-[(3S)-3,3a,4-triacetyloxy-7-methoxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate
• SMILES: COC(=O)[C@H](O[Si](C)(C)C(C)(C)C)C1OC(OC)C2OC[C@H](OC(C)=O)C2(OC(C)=O)C1OC(C)=O
• InChI: InChI=1S/C23H38O12Si/c1-12(24)31-15-11-30-19-21(29-8)33-16(18(32-13(2)25)23(15,19)34-14(3)26)17(20(27)28-7)35-36(9,10)22(4,5)6/h15-19,21H,11H2,1-10H3/t15-,16?,17+,18?,19?,21?,23?/m0/s1
• InChIKey: HGVYAHYBELARRF-ZIXFXIKZSA-N
• XLogP: 1.49
• TPSA: 142.12 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.63
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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 methyl (2R)-2-[(3S)-3,3a,4-triacetyloxy-7-methoxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate?

The IUPAC name of methyl (2R)-2-[(3S)-3,3a,4-triacetyloxy-7-methoxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate (CID 135015991) is methyl (2R)-2-[(3S)-3,3a,4-triacetyloxy-7-methoxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate.

What is the SMILES notation for methyl (2R)-2-[(3S)-3,3a,4-triacetyloxy-7-methoxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate?

The canonical SMILES for methyl (2R)-2-[(3S)-3,3a,4-triacetyloxy-7-methoxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate is COC(=O)[C@H](O[Si](C)(C)C(C)(C)C)C1OC(OC)C2OC[C@H](OC(C)=O)C2(OC(C)=O)C1OC(C)=O.

What is the InChIKey of methyl (2R)-2-[(3S)-3,3a,4-triacetyloxy-7-methoxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate?

The InChIKey is HGVYAHYBELARRF-ZIXFXIKZSA-N. The full InChI is InChI=1S/C23H38O12Si/c1-12(24)31-15-11-30-19-21(29-8)33-16(18(32-13(2)25)23(15,19)34-14(3)26)17(20(27)28-7)35-36(9,10)22(4,5)6/h15-19,21H,11H2,1-10H3/t15-,16?,17+,18?,19?,21?,23?/m0/s1.

What are the key properties of methyl (2R)-2-[(3S)-3,3a,4-triacetyloxy-7-methoxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate?

methyl (2R)-2-[(3S)-3,3a,4-triacetyloxy-7-methoxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate has a molecular weight of 534.63 g/mol, XLogP of 1.49, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2R)-2-[(3S)-3,3a,4-triacetyloxy-7-methoxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate is sourced from PubChem (CID 135015991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).