(2S,4R,6S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-6-[(2S)-2-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-4-ol

C42H62O6Si2 — CID 131733244

IUPAC(2S,4R,6S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-6-[(2S)-2-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-4-ol
SMILESC=C(C[C@H](O)C[C@H]1C[C@@H](O)C[C@@H](C[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCc2ccc(OC)cc2)O1)C[Si](C)(C)C
InChIInChI=1S/C42H62O6Si2/c1-32(31-49(6,7)8)25-34(43)26-38-27-35(44)28-39(48-38)29-37(46-30-33-19-21-36(45-5)22-20-33)23-24-47-50(42(2,3)4,40-15-11-9-12-16-40)41-17-13-10-14-18-41/h9-22,34-35,37-39,43-44H,1,23-31H2,2-8H3/t34-,35+,37-,38-,39-/m0/s1
InChIKeyYDOJWZIVZRZOKX-XNVAUQMESA-N
MW719.12 g/mol
LogP7.88
Rot. Bonds18

About (2S,4R,6S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-6-[(2S)-2-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-4-ol

(2S,4R,6S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-6-[(2S)-2-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-4-ol (PubChem CID 131733244) has the molecular formula C42H62O6Si2 and a molecular weight of 719.12 g/mol. Its IUPAC name is (2S,4R,6S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-6-[(2S)-2-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-4-ol.

Molecular Properties

Compound Name(2S,4R,6S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-6-[(2S)-2-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-4-ol
PubChem CID131733244
Molecular FormulaC42H62O6Si2
Molecular Weight719.12 g/mol
Exact Mass718.41
IUPAC Name(2S,4R,6S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-6-[(2S)-2-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-4-ol
SMILESC=C(C[C@H](O)C[C@H]1C[C@@H](O)C[C@@H](C[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCc2ccc(OC)cc2)O1)C[Si](C)(C)C
InChIInChI=1S/C42H62O6Si2/c1-32(31-49(6,7)8)25-34(43)26-38-27-35(44)28-39(48-38)29-37(46-30-33-19-21-36(45-5)22-20-33)23-24-47-50(42(2,3)4,40-15-11-9-12-16-40)41-17-13-10-14-18-41/h9-22,34-35,37-39,43-44H,1,23-31H2,2-8H3/t34-,35+,37-,38-,39-/m0/s1
InChIKeyYDOJWZIVZRZOKX-XNVAUQMESA-N
XLogP7.88
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.12
LogP ≤ 57.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S,4R,6S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-6-[(2S)-2-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,6S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-6-[(2S)-2-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-4-ol?
The IUPAC name of (2S,4R,6S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-6-[(2S)-2-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-4-ol (CID 131733244) is (2S,4R,6S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-6-[(2S)-2-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-4-ol.
What is the SMILES notation for (2S,4R,6S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-6-[(2S)-2-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-4-ol?
The canonical SMILES for (2S,4R,6S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-6-[(2S)-2-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-4-ol is C=C(C[C@H](O)C[C@H]1C[C@@H](O)C[C@@H](C[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCc2ccc(OC)cc2)O1)C[Si](C)(C)C.
What is the InChIKey of (2S,4R,6S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-6-[(2S)-2-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-4-ol?
The InChIKey is YDOJWZIVZRZOKX-XNVAUQMESA-N. The full InChI is InChI=1S/C42H62O6Si2/c1-32(31-49(6,7)8)25-34(43)26-38-27-35(44)28-39(48-38)29-37(46-30-33-19-21-36(45-5)22-20-33)23-24-47-50(42(2,3)4,40-15-11-9-12-16-40)41-17-13-10-14-18-41/h9-22,34-35,37-39,43-44H,1,23-31H2,2-8H3/t34-,35+,37-,38-,39-/m0/s1.
What are the key properties of (2S,4R,6S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-6-[(2S)-2-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-4-ol?
(2S,4R,6S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-6-[(2S)-2-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-4-ol has a molecular weight of 719.12 g/mol, XLogP of 7.88, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]butyl]-6-[(2S)-2-hydroxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-4-ol is sourced from PubChem (CID 131733244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).