[(2R,4S,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate

C29H56O7Si — CID 167705010

About [(2R,4S,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate

[(2R,4S,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate (PubChem CID 167705010) has the molecular formula C29H56O7Si and a molecular weight of 544.85 g/mol. Its IUPAC name is [(2R,4S,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate.

Molecular Properties

• Compound Name: [(2R,4S,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate
• PubChem CID: 167705010
• Molecular Formula: C29H56O7Si
• Molecular Weight: 544.85 g/mol
• Exact Mass: 544.38
• IUPAC Name: [(2R,4S,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate
• SMILES: CCC1O[C@H](O[C@@H]2C(CO[Si](C(C)C)(C(C)C)C(C)C)O[C@H](OC)C(C)[C@H]2C)C(OC(C)=O)[C@@H](C)[C@@H]1C
• InChI: InChI=1S/C29H56O7Si/c1-14-24-19(8)20(9)27(33-23(12)30)29(34-24)36-26-21(10)22(11)28(31-13)35-25(26)15-32-37(16(2)3,17(4)5)18(6)7/h16-22,24-29H,14-15H2,1-13H3/t19-,20-,21+,22?,24?,25?,26-,27?,28-,29+/m0/s1
• InChIKey: YYXSIQLRBAYIQN-GCSSWLBESA-N
• XLogP: 6.55
• TPSA: 72.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.85
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate?

The IUPAC name of [(2R,4S,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate (CID 167705010) is [(2R,4S,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate.

What is the SMILES notation for [(2R,4S,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate?

The canonical SMILES for [(2R,4S,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate is CCC1O[C@H](O[C@@H]2C(CO[Si](C(C)C)(C(C)C)C(C)C)O[C@H](OC)C(C)[C@H]2C)C(OC(C)=O)[C@@H](C)[C@@H]1C.

What is the InChIKey of [(2R,4S,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate?

The InChIKey is YYXSIQLRBAYIQN-GCSSWLBESA-N. The full InChI is InChI=1S/C29H56O7Si/c1-14-24-19(8)20(9)27(33-23(12)30)29(34-24)36-26-21(10)22(11)28(31-13)35-25(26)15-32-37(16(2)3,17(4)5)18(6)7/h16-22,24-29H,14-15H2,1-13H3/t19-,20-,21+,22?,24?,25?,26-,27?,28-,29+/m0/s1.

What are the key properties of [(2R,4S,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate?

[(2R,4S,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate has a molecular weight of 544.85 g/mol, XLogP of 6.55, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4S,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]oxy-4,5-dimethyloxan-3-yl] acetate is sourced from PubChem (CID 167705010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).