(3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-10-[tert-butyl(diphenyl)silyl]oxy-1-diethoxyphosphoryl-6-[(4-methoxyphenyl)methoxy]-3-methyldecan-2-one

C45H71O8PSi2 — CID 11262939

About (3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-10-[tert-butyl(diphenyl)silyl]oxy-1-diethoxyphosphoryl-6-[(4-methoxyphenyl)methoxy]-3-methyldecan-2-one

(3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-10-[tert-butyl(diphenyl)silyl]oxy-1-diethoxyphosphoryl-6-[(4-methoxyphenyl)methoxy]-3-methyldecan-2-one (PubChem CID 11262939) has the molecular formula C45H71O8PSi2 and a molecular weight of 827.20 g/mol. Its IUPAC name is (3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-10-[tert-butyl(diphenyl)silyl]oxy-1-diethoxyphosphoryl-6-[(4-methoxyphenyl)methoxy]-3-methyldecan-2-one.

Molecular Properties

• Compound Name: (3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-10-[tert-butyl(diphenyl)silyl]oxy-1-diethoxyphosphoryl-6-[(4-methoxyphenyl)methoxy]-3-methyldecan-2-one
• PubChem CID: 11262939
• Molecular Formula: C45H71O8PSi2
• Molecular Weight: 827.20 g/mol
• Exact Mass: 826.44
• IUPAC Name: (3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-10-[tert-butyl(diphenyl)silyl]oxy-1-diethoxyphosphoryl-6-[(4-methoxyphenyl)methoxy]-3-methyldecan-2-one
• SMILES: CCOP(=O)(CC(=O)[C@@H](C)[C@H](C[C@@H](CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C)OCC
• InChI: InChI=1S/C45H71O8PSi2/c1-13-50-54(47,51-14-2)35-42(46)36(3)43(53-55(11,12)44(4,5)6)33-39(49-34-37-28-30-38(48-10)31-29-37)23-21-22-32-52-56(45(7,8)9,40-24-17-15-18-25-40)41-26-19-16-20-27-41/h15-20,24-31,36,39,43H,13-14,21-23,32-35H2,1-12H3/t36-,39-,43+/m1/s1
• InChIKey: ZOVOXVPDTIUHOF-OJTCIBNZSA-N
• XLogP: 10.58
• TPSA: 89.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 24
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	827.20
LogP ≤ 5	10.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-10-[tert-butyl(diphenyl)silyl]oxy-1-diethoxyphosphoryl-6-[(4-methoxyphenyl)methoxy]-3-methyldecan-2-one?

The IUPAC name of (3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-10-[tert-butyl(diphenyl)silyl]oxy-1-diethoxyphosphoryl-6-[(4-methoxyphenyl)methoxy]-3-methyldecan-2-one (CID 11262939) is (3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-10-[tert-butyl(diphenyl)silyl]oxy-1-diethoxyphosphoryl-6-[(4-methoxyphenyl)methoxy]-3-methyldecan-2-one.

What is the SMILES notation for (3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-10-[tert-butyl(diphenyl)silyl]oxy-1-diethoxyphosphoryl-6-[(4-methoxyphenyl)methoxy]-3-methyldecan-2-one?

The canonical SMILES for (3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-10-[tert-butyl(diphenyl)silyl]oxy-1-diethoxyphosphoryl-6-[(4-methoxyphenyl)methoxy]-3-methyldecan-2-one is CCOP(=O)(CC(=O)[C@@H](C)[C@H](C[C@@H](CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C)OCC.

What is the InChIKey of (3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-10-[tert-butyl(diphenyl)silyl]oxy-1-diethoxyphosphoryl-6-[(4-methoxyphenyl)methoxy]-3-methyldecan-2-one?

The InChIKey is ZOVOXVPDTIUHOF-OJTCIBNZSA-N. The full InChI is InChI=1S/C45H71O8PSi2/c1-13-50-54(47,51-14-2)35-42(46)36(3)43(53-55(11,12)44(4,5)6)33-39(49-34-37-28-30-38(48-10)31-29-37)23-21-22-32-52-56(45(7,8)9,40-24-17-15-18-25-40)41-26-19-16-20-27-41/h15-20,24-31,36,39,43H,13-14,21-23,32-35H2,1-12H3/t36-,39-,43+/m1/s1.

What are the key properties of (3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-10-[tert-butyl(diphenyl)silyl]oxy-1-diethoxyphosphoryl-6-[(4-methoxyphenyl)methoxy]-3-methyldecan-2-one?

(3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-10-[tert-butyl(diphenyl)silyl]oxy-1-diethoxyphosphoryl-6-[(4-methoxyphenyl)methoxy]-3-methyldecan-2-one has a molecular weight of 827.20 g/mol, XLogP of 10.58, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-10-[tert-butyl(diphenyl)silyl]oxy-1-diethoxyphosphoryl-6-[(4-methoxyphenyl)methoxy]-3-methyldecan-2-one is sourced from PubChem (CID 11262939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).