(1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]propane-1,2-diol

C48H62O7Si2 — CID 71251677

IUPAC(1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]propane-1,2-diol
SMILESCC(C)(C)[Si](C)(C)Oc1ccc([C@H](O)[C@@H](O)Cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[Si](C)(C)C(C)(C)C)cc1OCc1ccccc1
InChIInChI=1S/C48H62O7Si2/c1-47(2,3)56(7,8)54-42-27-26-38(28-45(42)53-34-37-24-18-13-19-25-37)46(50)41(49)31-40-43(52-33-36-22-16-12-17-23-36)29-39(51-32-35-20-14-11-15-21-35)30-44(40)55-57(9,10)48(4,5)6/h11-30,41,46,49-50H,31-34H2,1-10H3/t41-,46-/m0/s1
InChIKeyJEOCJOOHTYUPRU-UYKAELIGSA-N
MW807.19 g/mol
LogP11.83
Rot. Bonds17

About (1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]propane-1,2-diol

(1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]propane-1,2-diol (PubChem CID 71251677) has the molecular formula C48H62O7Si2 and a molecular weight of 807.19 g/mol. Its IUPAC name is (1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]propane-1,2-diol.

Molecular Properties

Compound Name(1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]propane-1,2-diol
PubChem CID71251677
Molecular FormulaC48H62O7Si2
Molecular Weight807.19 g/mol
Exact Mass806.40
IUPAC Name(1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]propane-1,2-diol
SMILESCC(C)(C)[Si](C)(C)Oc1ccc([C@H](O)[C@@H](O)Cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[Si](C)(C)C(C)(C)C)cc1OCc1ccccc1
InChIInChI=1S/C48H62O7Si2/c1-47(2,3)56(7,8)54-42-27-26-38(28-45(42)53-34-37-24-18-13-19-25-37)46(50)41(49)31-40-43(52-33-36-22-16-12-17-23-36)29-39(51-32-35-20-14-11-15-21-35)30-44(40)55-57(9,10)48(4,5)6/h11-30,41,46,49-50H,31-34H2,1-10H3/t41-,46-/m0/s1
InChIKeyJEOCJOOHTYUPRU-UYKAELIGSA-N
XLogP11.83
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.19
LogP ≤ 511.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-6-phenylmethoxyphenyl]-1-(3-methoxy-4-phenylmethoxyphenyl)propane-1,2-diol
CID 102101367
(1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]-1-(4-phenylmethoxyphenyl)propane-1,2-diol
CID 11387547
(1S,2S)-3-[2-hydroxy-4,6-bis(phenylmethoxy)phenyl]-1-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol
CID 71251680
tert-butyl-[4-[(E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane
CID 89404905
tert-butyl-[4-[3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]prop-1-enyl]-2-phenylmethoxyphenoxy]-dimethylsilane
CID 123893519
(1S,2S)-3-[2-hydroxy-4,6-bis(phenylmethoxy)phenyl]-1-(4-phenylmethoxyphenyl)propane-1,2-diol
CID 11478558
(2R,3R)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol
CID 102452219
[3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-5-phenylmethoxyphenyl] trifluoromethanesulfonate
CID 11858935
4-O-methyl 1-O-prop-2-enyl (2E)-2-[(2R)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]-2-[(4-methoxyphenyl)methoxy]propylidene]butanedioate
CID 122382623
tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
CID 532661
2-bromo-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylmethoxyphenyl]ethanol
CID 76807098
3-amino-1-(3-methoxy-4-phenylmethoxyphenyl)propane-1,2-diol
CID 170829202

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]propane-1,2-diol?
The IUPAC name of (1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]propane-1,2-diol (CID 71251677) is (1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]propane-1,2-diol.
What is the SMILES notation for (1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]propane-1,2-diol?
The canonical SMILES for (1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]propane-1,2-diol is CC(C)(C)[Si](C)(C)Oc1ccc([C@H](O)[C@@H](O)Cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[Si](C)(C)C(C)(C)C)cc1OCc1ccccc1.
What is the InChIKey of (1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]propane-1,2-diol?
The InChIKey is JEOCJOOHTYUPRU-UYKAELIGSA-N. The full InChI is InChI=1S/C48H62O7Si2/c1-47(2,3)56(7,8)54-42-27-26-38(28-45(42)53-34-37-24-18-13-19-25-37)46(50)41(49)31-40-43(52-33-36-22-16-12-17-23-36)29-39(51-32-35-20-14-11-15-21-35)30-44(40)55-57(9,10)48(4,5)6/h11-30,41,46,49-50H,31-34H2,1-10H3/t41-,46-/m0/s1.
What are the key properties of (1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]propane-1,2-diol?
(1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]propane-1,2-diol has a molecular weight of 807.19 g/mol, XLogP of 11.83, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)phenyl]-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]propane-1,2-diol is sourced from PubChem (CID 71251677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).