(2R,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-6-phenylhexanamide

C42H77NO5Si2 — CID 18655448

About (2R,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-6-phenylhexanamide

(2R,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-6-phenylhexanamide (PubChem CID 18655448) has the molecular formula C42H77NO5Si2 and a molecular weight of 732.25 g/mol. Its IUPAC name is (2R,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-6-phenylhexanamide.

Molecular Properties

• Compound Name: (2R,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-6-phenylhexanamide
• PubChem CID: 18655448
• Molecular Formula: C42H77NO5Si2
• Molecular Weight: 732.25 g/mol
• Exact Mass: 731.53
• IUPAC Name: (2R,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-6-phenylhexanamide
• SMILES: CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CC1)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc1ccccc1)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C42H77NO5Si2/c1-30(2)25-36(44)39(45)35(27-31-19-15-13-16-20-31)43-40(46)34(26-33-23-24-33)29-38(48-50(11,12)42(6,7)8)37(28-32-21-17-14-18-22-32)47-49(9,10)41(3,4)5/h14,17-18,21-22,30-31,33-39,44-45H,13,15-16,19-20,23-29H2,1-12H3,(H,43,46)/t34-,35+,36+,37+,38-,39-/m1/s1
• InChIKey: ODPGGBVHXWBPCE-NPNOBJBFSA-N
• XLogP: 10.04
• TPSA: 88.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 19
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.25
LogP ≤ 5	10.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-6-phenylhexanamide?

The IUPAC name of (2R,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-6-phenylhexanamide (CID 18655448) is (2R,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-6-phenylhexanamide.

What is the SMILES notation for (2R,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-6-phenylhexanamide?

The canonical SMILES for (2R,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-6-phenylhexanamide is CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CC1)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc1ccccc1)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (2R,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-6-phenylhexanamide?

The InChIKey is ODPGGBVHXWBPCE-NPNOBJBFSA-N. The full InChI is InChI=1S/C42H77NO5Si2/c1-30(2)25-36(44)39(45)35(27-31-19-15-13-16-20-31)43-40(46)34(26-33-23-24-33)29-38(48-50(11,12)42(6,7)8)37(28-32-21-17-14-18-22-32)47-49(9,10)41(3,4)5/h14,17-18,21-22,30-31,33-39,44-45H,13,15-16,19-20,23-29H2,1-12H3,(H,43,46)/t34-,35+,36+,37+,38-,39-/m1/s1.

What are the key properties of (2R,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-6-phenylhexanamide?

(2R,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-6-phenylhexanamide has a molecular weight of 732.25 g/mol, XLogP of 10.04, 19 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-6-phenylhexanamide is sourced from PubChem (CID 18655448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).