(2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-decoxy-5-[(3R)-3-hydroxytetradecoxy]-6-[(E)-prop-1-enoxy]oxan-3-ol

C39H78O7Si — CID 131739144

About (2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-decoxy-5-[(3R)-3-hydroxytetradecoxy]-6-[(E)-prop-1-enoxy]oxan-3-ol

(2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-decoxy-5-[(3R)-3-hydroxytetradecoxy]-6-[(E)-prop-1-enoxy]oxan-3-ol (PubChem CID 131739144) has the molecular formula C39H78O7Si and a molecular weight of 687.13 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-decoxy-5-[(3R)-3-hydroxytetradecoxy]-6-[(E)-prop-1-enoxy]oxan-3-ol.

Molecular Properties

• Compound Name: (2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-decoxy-5-[(3R)-3-hydroxytetradecoxy]-6-[(E)-prop-1-enoxy]oxan-3-ol
• PubChem CID: 131739144
• Molecular Formula: C39H78O7Si
• Molecular Weight: 687.13 g/mol
• Exact Mass: 686.55
• IUPAC Name: (2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-decoxy-5-[(3R)-3-hydroxytetradecoxy]-6-[(E)-prop-1-enoxy]oxan-3-ol
• SMILES: C/C=C/O[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](OCCCCCCCCCC)[C@H]1OCC[C@H](O)CCCCCCCCCCC
• InChI: InChI=1S/C39H78O7Si/c1-9-12-14-16-18-20-21-23-25-27-33(40)28-31-43-37-36(42-30-26-24-22-19-17-15-13-10-2)35(41)34(46-38(37)44-29-11-3)32-45-47(7,8)39(4,5)6/h11,29,33-38,40-41H,9-10,12-28,30-32H2,1-8H3/b29-11+/t33-,34-,35-,36+,37-,38+/m1/s1
• InChIKey: WZYNXMXEXQDTQC-KPAUUSMCSA-N
• XLogP: 10.23
• TPSA: 86.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 29
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	687.13
LogP ≤ 5	10.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-decoxy-5-[(3R)-3-hydroxytetradecoxy]-6-[(E)-prop-1-enoxy]oxan-3-ol?

The IUPAC name of (2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-decoxy-5-[(3R)-3-hydroxytetradecoxy]-6-[(E)-prop-1-enoxy]oxan-3-ol (CID 131739144) is (2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-decoxy-5-[(3R)-3-hydroxytetradecoxy]-6-[(E)-prop-1-enoxy]oxan-3-ol.

What is the SMILES notation for (2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-decoxy-5-[(3R)-3-hydroxytetradecoxy]-6-[(E)-prop-1-enoxy]oxan-3-ol?

The canonical SMILES for (2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-decoxy-5-[(3R)-3-hydroxytetradecoxy]-6-[(E)-prop-1-enoxy]oxan-3-ol is C/C=C/O[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](OCCCCCCCCCC)[C@H]1OCC[C@H](O)CCCCCCCCCCC.

What is the InChIKey of (2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-decoxy-5-[(3R)-3-hydroxytetradecoxy]-6-[(E)-prop-1-enoxy]oxan-3-ol?

The InChIKey is WZYNXMXEXQDTQC-KPAUUSMCSA-N. The full InChI is InChI=1S/C39H78O7Si/c1-9-12-14-16-18-20-21-23-25-27-33(40)28-31-43-37-36(42-30-26-24-22-19-17-15-13-10-2)35(41)34(46-38(37)44-29-11-3)32-45-47(7,8)39(4,5)6/h11,29,33-38,40-41H,9-10,12-28,30-32H2,1-8H3/b29-11+/t33-,34-,35-,36+,37-,38+/m1/s1.

What are the key properties of (2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-decoxy-5-[(3R)-3-hydroxytetradecoxy]-6-[(E)-prop-1-enoxy]oxan-3-ol?

(2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-decoxy-5-[(3R)-3-hydroxytetradecoxy]-6-[(E)-prop-1-enoxy]oxan-3-ol has a molecular weight of 687.13 g/mol, XLogP of 10.23, 29 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-decoxy-5-[(3R)-3-hydroxytetradecoxy]-6-[(E)-prop-1-enoxy]oxan-3-ol is sourced from PubChem (CID 131739144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).