(2R,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3-hydroxy-5-[(3R)-3-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methyloxiran-2-yl]pentanal

C34H60O7Si2 — CID 89190667

About (2R,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3-hydroxy-5-[(3R)-3-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methyloxiran-2-yl]pentanal

(2R,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3-hydroxy-5-[(3R)-3-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methyloxiran-2-yl]pentanal (PubChem CID 89190667) has the molecular formula C34H60O7Si2 and a molecular weight of 637.02 g/mol. Its IUPAC name is (2R,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3-hydroxy-5-[(3R)-3-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methyloxiran-2-yl]pentanal.

Molecular Properties

• Compound Name: (2R,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3-hydroxy-5-[(3R)-3-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methyloxiran-2-yl]pentanal
• PubChem CID: 89190667
• Molecular Formula: C34H60O7Si2
• Molecular Weight: 637.02 g/mol
• Exact Mass: 636.39
• IUPAC Name: (2R,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3-hydroxy-5-[(3R)-3-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methyloxiran-2-yl]pentanal
• SMILES: C=C[C@@H](C=O)[C@@H](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)COCc1ccc(OC)cc1
• InChI: InChI=1S/C34H60O7Si2/c1-15-26(20-35)29(36)28(23-39-42(11,12)32(3,4)5)31(41-43(13,14)33(6,7)8)34(9)30(40-34)24(2)21-38-22-25-16-18-27(37-10)19-17-25/h15-20,24,26,28-31,36H,1,21-23H2,2-14H3/t24-,26-,28-,29+,30+,31-,34?/m0/s1
• InChIKey: RJMMXKVEVWTMGW-UGMKBDSLSA-N
• XLogP: 7.40
• TPSA: 86.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.02
LogP ≤ 5	7.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3-hydroxy-5-[(3R)-3-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methyloxiran-2-yl]pentanal?

The IUPAC name of (2R,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3-hydroxy-5-[(3R)-3-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methyloxiran-2-yl]pentanal (CID 89190667) is (2R,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3-hydroxy-5-[(3R)-3-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methyloxiran-2-yl]pentanal.

What is the SMILES notation for (2R,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3-hydroxy-5-[(3R)-3-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methyloxiran-2-yl]pentanal?

The canonical SMILES for (2R,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3-hydroxy-5-[(3R)-3-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methyloxiran-2-yl]pentanal is C=C[C@@H](C=O)[C@@H](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)COCc1ccc(OC)cc1.

What is the InChIKey of (2R,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3-hydroxy-5-[(3R)-3-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methyloxiran-2-yl]pentanal?

The InChIKey is RJMMXKVEVWTMGW-UGMKBDSLSA-N. The full InChI is InChI=1S/C34H60O7Si2/c1-15-26(20-35)29(36)28(23-39-42(11,12)32(3,4)5)31(41-43(13,14)33(6,7)8)34(9)30(40-34)24(2)21-38-22-25-16-18-27(37-10)19-17-25/h15-20,24,26,28-31,36H,1,21-23H2,2-14H3/t24-,26-,28-,29+,30+,31-,34?/m0/s1.

What are the key properties of (2R,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3-hydroxy-5-[(3R)-3-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methyloxiran-2-yl]pentanal?

(2R,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3-hydroxy-5-[(3R)-3-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methyloxiran-2-yl]pentanal has a molecular weight of 637.02 g/mol, XLogP of 7.40, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3-hydroxy-5-[(3R)-3-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methyloxiran-2-yl]pentanal is sourced from PubChem (CID 89190667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).