(3R,4R,6R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(3R)-3-[(2S)-1-hydroxypropan-2-yl]-2-methyloxiran-2-yl]-N-methoxy-N-methyl-5-oxoheptanamide

C41H87NO9Si4 — CID 89190718

About (3R,4R,6R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(3R)-3-[(2S)-1-hydroxypropan-2-yl]-2-methyloxiran-2-yl]-N-methoxy-N-methyl-5-oxoheptanamide

(3R,4R,6R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(3R)-3-[(2S)-1-hydroxypropan-2-yl]-2-methyloxiran-2-yl]-N-methoxy-N-methyl-5-oxoheptanamide (PubChem CID 89190718) has the molecular formula C41H87NO9Si4 and a molecular weight of 850.49 g/mol. Its IUPAC name is (3R,4R,6R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(3R)-3-[(2S)-1-hydroxypropan-2-yl]-2-methyloxiran-2-yl]-N-methoxy-N-methyl-5-oxoheptanamide.

Molecular Properties

• Compound Name: (3R,4R,6R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(3R)-3-[(2S)-1-hydroxypropan-2-yl]-2-methyloxiran-2-yl]-N-methoxy-N-methyl-5-oxoheptanamide
• PubChem CID: 89190718
• Molecular Formula: C41H87NO9Si4
• Molecular Weight: 850.49 g/mol
• Exact Mass: 849.55
• IUPAC Name: (3R,4R,6R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(3R)-3-[(2S)-1-hydroxypropan-2-yl]-2-methyloxiran-2-yl]-N-methoxy-N-methyl-5-oxoheptanamide
• SMILES: CON(C)C(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C1(C)O[C@@H]1[C@@H](C)CO
• InChI: InChI=1S/C41H87NO9Si4/c1-29(26-43)35-41(14,49-35)36(51-55(23,24)40(11,12)13)31(28-48-53(19,20)38(5,6)7)34(45)30(27-47-52(17,18)37(2,3)4)32(25-33(44)42(15)46-16)50-54(21,22)39(8,9)10/h29-32,35-36,43H,25-28H2,1-24H3/t29-,30+,31-,32+,35+,36-,41?/m0/s1
• InChIKey: MNKVOSMAKHQSJP-DQQLLJMSSA-N
• XLogP: 9.81
• TPSA: 116.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	850.49
LogP ≤ 5	9.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R,4R,6R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(3R)-3-[(2S)-1-hydroxypropan-2-yl]-2-methyloxiran-2-yl]-N-methoxy-N-methyl-5-oxoheptanamide?

The IUPAC name of (3R,4R,6R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(3R)-3-[(2S)-1-hydroxypropan-2-yl]-2-methyloxiran-2-yl]-N-methoxy-N-methyl-5-oxoheptanamide (CID 89190718) is (3R,4R,6R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(3R)-3-[(2S)-1-hydroxypropan-2-yl]-2-methyloxiran-2-yl]-N-methoxy-N-methyl-5-oxoheptanamide.

What is the SMILES notation for (3R,4R,6R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(3R)-3-[(2S)-1-hydroxypropan-2-yl]-2-methyloxiran-2-yl]-N-methoxy-N-methyl-5-oxoheptanamide?

The canonical SMILES for (3R,4R,6R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(3R)-3-[(2S)-1-hydroxypropan-2-yl]-2-methyloxiran-2-yl]-N-methoxy-N-methyl-5-oxoheptanamide is CON(C)C(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C1(C)O[C@@H]1[C@@H](C)CO.

What is the InChIKey of (3R,4R,6R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(3R)-3-[(2S)-1-hydroxypropan-2-yl]-2-methyloxiran-2-yl]-N-methoxy-N-methyl-5-oxoheptanamide?

The InChIKey is MNKVOSMAKHQSJP-DQQLLJMSSA-N. The full InChI is InChI=1S/C41H87NO9Si4/c1-29(26-43)35-41(14,49-35)36(51-55(23,24)40(11,12)13)31(28-48-53(19,20)38(5,6)7)34(45)30(27-47-52(17,18)37(2,3)4)32(25-33(44)42(15)46-16)50-54(21,22)39(8,9)10/h29-32,35-36,43H,25-28H2,1-24H3/t29-,30+,31-,32+,35+,36-,41?/m0/s1.

What are the key properties of (3R,4R,6R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(3R)-3-[(2S)-1-hydroxypropan-2-yl]-2-methyloxiran-2-yl]-N-methoxy-N-methyl-5-oxoheptanamide?

(3R,4R,6R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(3R)-3-[(2S)-1-hydroxypropan-2-yl]-2-methyloxiran-2-yl]-N-methoxy-N-methyl-5-oxoheptanamide has a molecular weight of 850.49 g/mol, XLogP of 9.81, 20 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R,6R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(3R)-3-[(2S)-1-hydroxypropan-2-yl]-2-methyloxiran-2-yl]-N-methoxy-N-methyl-5-oxoheptanamide is sourced from PubChem (CID 89190718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).