[(2S,3R,5S,6R)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-2-[(1R)-1-phenylmethoxy-3-phenylsulfanylpropyl]oxan-3-yl]oxy-tri(propan-2-yl)silane

C46H62O5SSi — CID 101338576

IUPAC[(2S,3R,5S,6R)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-2-[(1R)-1-phenylmethoxy-3-phenylsulfanylpropyl]oxan-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H]1C[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@]1(C)[C@@H](CCSc1ccccc1)OCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C46H62O5SSi/c1-35(2)53(36(3)4,37(5)6)51-45-30-42(48-32-39-22-14-9-15-23-39)43(34-47-31-38-20-12-8-13-21-38)50-46(45,7)44(49-33-40-24-16-10-17-25-40)28-29-52-41-26-18-11-19-27-41/h8-27,35-37,42-45H,28-34H2,1-7H3/t42-,43+,44+,45+,46-/m0/s1
InChIKeyLKJABKJFSBYSAV-WAGYMENLSA-N
MW755.15 g/mol
LogP11.66
Rot. Bonds20

About [(2S,3R,5S,6R)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-2-[(1R)-1-phenylmethoxy-3-phenylsulfanylpropyl]oxan-3-yl]oxy-tri(propan-2-yl)silane

[(2S,3R,5S,6R)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-2-[(1R)-1-phenylmethoxy-3-phenylsulfanylpropyl]oxan-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 101338576) has the molecular formula C46H62O5SSi and a molecular weight of 755.15 g/mol. Its IUPAC name is [(2S,3R,5S,6R)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-2-[(1R)-1-phenylmethoxy-3-phenylsulfanylpropyl]oxan-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S,3R,5S,6R)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-2-[(1R)-1-phenylmethoxy-3-phenylsulfanylpropyl]oxan-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID101338576
Molecular FormulaC46H62O5SSi
Molecular Weight755.15 g/mol
Exact Mass754.41
IUPAC Name[(2S,3R,5S,6R)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-2-[(1R)-1-phenylmethoxy-3-phenylsulfanylpropyl]oxan-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H]1C[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@]1(C)[C@@H](CCSc1ccccc1)OCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C46H62O5SSi/c1-35(2)53(36(3)4,37(5)6)51-45-30-42(48-32-39-22-14-9-15-23-39)43(34-47-31-38-20-12-8-13-21-38)50-46(45,7)44(49-33-40-24-16-10-17-25-40)28-29-52-41-26-18-11-19-27-41/h8-27,35-37,42-45H,28-34H2,1-7H3/t42-,43+,44+,45+,46-/m0/s1
InChIKeyLKJABKJFSBYSAV-WAGYMENLSA-N
XLogP11.66
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.15
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,5S,6R)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-2-[(1R)-1-phenylmethoxy-3-phenylsulfanylpropyl]oxan-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(2S,3R,5S,6R)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-2-[(1R)-1-phenylmethoxy-3-phenylsulfanylpropyl]oxan-3-yl]oxy-tri(propan-2-yl)silane (CID 101338576) is [(2S,3R,5S,6R)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-2-[(1R)-1-phenylmethoxy-3-phenylsulfanylpropyl]oxan-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S,3R,5S,6R)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-2-[(1R)-1-phenylmethoxy-3-phenylsulfanylpropyl]oxan-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2S,3R,5S,6R)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-2-[(1R)-1-phenylmethoxy-3-phenylsulfanylpropyl]oxan-3-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](O[C@@H]1C[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@]1(C)[C@@H](CCSc1ccccc1)OCc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of [(2S,3R,5S,6R)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-2-[(1R)-1-phenylmethoxy-3-phenylsulfanylpropyl]oxan-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is LKJABKJFSBYSAV-WAGYMENLSA-N. The full InChI is InChI=1S/C46H62O5SSi/c1-35(2)53(36(3)4,37(5)6)51-45-30-42(48-32-39-22-14-9-15-23-39)43(34-47-31-38-20-12-8-13-21-38)50-46(45,7)44(49-33-40-24-16-10-17-25-40)28-29-52-41-26-18-11-19-27-41/h8-27,35-37,42-45H,28-34H2,1-7H3/t42-,43+,44+,45+,46-/m0/s1.
What are the key properties of [(2S,3R,5S,6R)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-2-[(1R)-1-phenylmethoxy-3-phenylsulfanylpropyl]oxan-3-yl]oxy-tri(propan-2-yl)silane?
[(2S,3R,5S,6R)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-2-[(1R)-1-phenylmethoxy-3-phenylsulfanylpropyl]oxan-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 755.15 g/mol, XLogP of 11.66, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,5S,6R)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-2-[(1R)-1-phenylmethoxy-3-phenylsulfanylpropyl]oxan-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 101338576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).