(1R,2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-3-methyl-5-phenylmethoxypentan-1-ol

C42H54O7Si — CID 134866735

IUPAC(1R,2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-3-methyl-5-phenylmethoxypentan-1-ol
SMILESCOc1ccc(CO[C@@H]2CC([C@@H](O)[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](C)CCOCc3ccccc3)O[C@@H]2CO)cc1
InChIInChI=1S/C42H54O7Si/c1-31(25-26-46-29-32-15-9-6-10-16-32)41(49-50(42(2,3)4,35-17-11-7-12-18-35)36-19-13-8-14-20-36)40(44)38-27-37(39(28-43)48-38)47-30-33-21-23-34(45-5)24-22-33/h6-24,31,37-41,43-44H,25-30H2,1-5H3/t31-,37-,38?,39-,40-,41-/m1/s1
InChIKeyJTZCUIIQXFBXIS-CKUJIQOVSA-N
MW698.97 g/mol
LogP6.28
Rot. Bonds17

About (1R,2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-3-methyl-5-phenylmethoxypentan-1-ol

(1R,2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-3-methyl-5-phenylmethoxypentan-1-ol (PubChem CID 134866735) has the molecular formula C42H54O7Si and a molecular weight of 698.97 g/mol. Its IUPAC name is (1R,2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-3-methyl-5-phenylmethoxypentan-1-ol.

Molecular Properties

Compound Name(1R,2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-3-methyl-5-phenylmethoxypentan-1-ol
PubChem CID134866735
Molecular FormulaC42H54O7Si
Molecular Weight698.97 g/mol
Exact Mass698.36
IUPAC Name(1R,2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-3-methyl-5-phenylmethoxypentan-1-ol
SMILESCOc1ccc(CO[C@@H]2CC([C@@H](O)[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](C)CCOCc3ccccc3)O[C@@H]2CO)cc1
InChIInChI=1S/C42H54O7Si/c1-31(25-26-46-29-32-15-9-6-10-16-32)41(49-50(42(2,3)4,35-17-11-7-12-18-35)36-19-13-8-14-20-36)40(44)38-27-37(39(28-43)48-38)47-30-33-21-23-34(45-5)24-22-33/h6-24,31,37-41,43-44H,25-30H2,1-5H3/t31-,37-,38?,39-,40-,41-/m1/s1
InChIKeyJTZCUIIQXFBXIS-CKUJIQOVSA-N
XLogP6.28
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.97
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (1R,2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-3-methyl-5-phenylmethoxypentan-1-ol with MolForge

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Related Compounds

(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol
CID 171124705
(3R,4R,5S,6S,9S,10S,11R)-12-[tert-butyl(diphenyl)silyl]oxy-4,10-bis(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-3,5,9,11-tetramethyldodec-7-yn-6-ol
CID 10747636
(3S,4R,5S)-3-[tert-butyl(diphenyl)silyl]oxy-6-[(4S,5S)-5-[3-[(4-methoxyphenyl)methoxy]propyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-4-(phenylmethoxymethoxy)hexanal
CID 11181899
tert-butyl-[[(2S,3S)-3-[3-[(4-methoxyphenyl)methoxy]prop-1-en-2-yl]oxiran-2-yl]methoxy]-diphenylsilane
CID 11283212
[(2R,3S,4R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyoxan-2-yl]methanol
CID 56965248
(8R,9R)-9-[tert-butyl(diphenyl)silyl]oxy-6-fluoro-1-[(4-methoxyphenyl)methoxy]-8-methyldec-6-en-3-yn-5-ol
CID 91047673
(4S,5R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-5-methylhept-1-en-4-ol
CID 11731013
(2S,3Z,5S,6Z,11S)-11-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4-methoxyphenyl)methoxy]dodeca-3,6-dien-5-ol
CID 166444797
[(2R,3R,4S,5R,6S)-5-[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)oxan-2-yl]methanol
CID 11365130
[(2R,3R,5S)-3-[(4-methoxyphenyl)methoxy]-5-propyloxolan-2-yl]methanol
CID 102128098
[(2R,3S,4R,5R)-5-azido-6-fluoro-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 11802442
tert-butyl-diphenyl-[[(2R,3S,5R)-5-phenyl-3-phenylmethoxyoxolan-2-yl]methoxy]silane
CID 102482306

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-3-methyl-5-phenylmethoxypentan-1-ol?
The IUPAC name of (1R,2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-3-methyl-5-phenylmethoxypentan-1-ol (CID 134866735) is (1R,2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-3-methyl-5-phenylmethoxypentan-1-ol.
What is the SMILES notation for (1R,2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-3-methyl-5-phenylmethoxypentan-1-ol?
The canonical SMILES for (1R,2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-3-methyl-5-phenylmethoxypentan-1-ol is COc1ccc(CO[C@@H]2CC([C@@H](O)[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](C)CCOCc3ccccc3)O[C@@H]2CO)cc1.
What is the InChIKey of (1R,2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-3-methyl-5-phenylmethoxypentan-1-ol?
The InChIKey is JTZCUIIQXFBXIS-CKUJIQOVSA-N. The full InChI is InChI=1S/C42H54O7Si/c1-31(25-26-46-29-32-15-9-6-10-16-32)41(49-50(42(2,3)4,35-17-11-7-12-18-35)36-19-13-8-14-20-36)40(44)38-27-37(39(28-43)48-38)47-30-33-21-23-34(45-5)24-22-33/h6-24,31,37-41,43-44H,25-30H2,1-5H3/t31-,37-,38?,39-,40-,41-/m1/s1.
What are the key properties of (1R,2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-3-methyl-5-phenylmethoxypentan-1-ol?
(1R,2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-3-methyl-5-phenylmethoxypentan-1-ol has a molecular weight of 698.97 g/mol, XLogP of 6.28, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-yl]-3-methyl-5-phenylmethoxypentan-1-ol is sourced from PubChem (CID 134866735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).