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

C39H74O8Si3 — CID 89190703

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

(2S,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-[(3R)-3-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methyloxiran-2-yl]pentanal (PubChem CID 89190703) has the molecular formula C39H74O8Si3 and a molecular weight of 755.27 g/mol. Its IUPAC name is (2S,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-[(3R)-3-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methyloxiran-2-yl]pentanal.

Molecular Properties

• Compound Name: (2S,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-[(3R)-3-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methyloxiran-2-yl]pentanal
• PubChem CID: 89190703
• Molecular Formula: C39H74O8Si3
• Molecular Weight: 755.27 g/mol
• Exact Mass: 754.47
• IUPAC Name: (2S,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-[(3R)-3-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methyloxiran-2-yl]pentanal
• SMILES: COc1ccc(COC[C@H](C)[C@H]2OC2(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](C=O)CO[Si](C)(C)C(C)(C)C)cc1
• InChI: InChI=1S/C39H74O8Si3/c1-28(24-43-25-29-19-21-31(42-12)22-20-29)34-39(11,46-34)35(47-50(17,18)38(8,9)10)32(27-45-49(15,16)37(5,6)7)33(41)30(23-40)26-44-48(13,14)36(2,3)4/h19-23,28,30,32-35,41H,24-27H2,1-18H3/t28-,30-,32-,33+,34+,35-,39?/m0/s1
• InChIKey: WKHKRGFVNTXPFI-MPHHFKECSA-N
• XLogP: 9.23
• TPSA: 95.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.27
LogP ≤ 5	9.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2S,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-[(3R)-3-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methyloxiran-2-yl]pentanal (CID 89190703) is (2S,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-[(3R)-3-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methyloxiran-2-yl]pentanal.

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

The canonical SMILES for (2S,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-[(3R)-3-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methyloxiran-2-yl]pentanal is COc1ccc(COC[C@H](C)[C@H]2OC2(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](C=O)CO[Si](C)(C)C(C)(C)C)cc1.

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

The InChIKey is WKHKRGFVNTXPFI-MPHHFKECSA-N. The full InChI is InChI=1S/C39H74O8Si3/c1-28(24-43-25-29-19-21-31(42-12)22-20-29)34-39(11,46-34)35(47-50(17,18)38(8,9)10)32(27-45-49(15,16)37(5,6)7)33(41)30(23-40)26-44-48(13,14)36(2,3)4/h19-23,28,30,32-35,41H,24-27H2,1-18H3/t28-,30-,32-,33+,34+,35-,39?/m0/s1.

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

(2S,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-[(3R)-3-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methyloxiran-2-yl]pentanal has a molecular weight of 755.27 g/mol, XLogP of 9.23, 19 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-[(3R)-3-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-methyloxiran-2-yl]pentanal is sourced from PubChem (CID 89190703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).