(2S,5S)-2-[2-[(2S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-phenylmethoxyoxan-2-yl]ethyl]-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-3-ol

C45H68O6Si2 — CID 178184655

IUPAC(2S,5S)-2-[2-[(2S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-phenylmethoxyoxan-2-yl]ethyl]-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-3-ol
SMILESC[C@@H]1C[C@H](CC[C@@H]2O[C@@H](CCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1OCc1ccccc1
InChIInChI=1S/C45H68O6Si2/c1-34-30-37(51-42(33-49-52(8,9)44(2,3)4)43(34)47-32-35-20-13-10-14-21-35)27-28-41-40(46)31-36(50-41)22-19-29-48-53(45(5,6)7,38-23-15-11-16-24-38)39-25-17-12-18-26-39/h10-18,20-21,23-26,34,36-37,40-43,46H,19,22,27-33H2,1-9H3/t34-,36+,37+,40?,41+,42-,43+/m1/s1
InChIKeyZCLCXHPCBVFCHY-UBVVUZKZSA-N
MW761.21 g/mol
LogP9.04
Rot. Bonds16

About (2S,5S)-2-[2-[(2S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-phenylmethoxyoxan-2-yl]ethyl]-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-3-ol

(2S,5S)-2-[2-[(2S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-phenylmethoxyoxan-2-yl]ethyl]-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-3-ol (PubChem CID 178184655) has the molecular formula C45H68O6Si2 and a molecular weight of 761.21 g/mol. Its IUPAC name is (2S,5S)-2-[2-[(2S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-phenylmethoxyoxan-2-yl]ethyl]-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-3-ol.

Molecular Properties

Compound Name(2S,5S)-2-[2-[(2S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-phenylmethoxyoxan-2-yl]ethyl]-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-3-ol
PubChem CID178184655
Molecular FormulaC45H68O6Si2
Molecular Weight761.21 g/mol
Exact Mass760.46
IUPAC Name(2S,5S)-2-[2-[(2S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-phenylmethoxyoxan-2-yl]ethyl]-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-3-ol
SMILESC[C@@H]1C[C@H](CC[C@@H]2O[C@@H](CCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1OCc1ccccc1
InChIInChI=1S/C45H68O6Si2/c1-34-30-37(51-42(33-49-52(8,9)44(2,3)4)43(34)47-32-35-20-13-10-14-21-35)27-28-41-40(46)31-36(50-41)22-19-29-48-53(45(5,6)7,38-23-15-11-16-24-38)39-25-17-12-18-26-39/h10-18,20-21,23-26,34,36-37,40-43,46H,19,22,27-33H2,1-9H3/t34-,36+,37+,40?,41+,42-,43+/m1/s1
InChIKeyZCLCXHPCBVFCHY-UBVVUZKZSA-N
XLogP9.04
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.21
LogP ≤ 59.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S,5S)-2-[2-[(2S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-phenylmethoxyoxan-2-yl]ethyl]-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-3-ol with MolForge

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Related Compounds

(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
CID 171125092
(2S,3R,4S,5R,6R)-6-[[(2S,3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 171124593
(3S,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
CID 91067670
(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol
CID 58292429
tert-butyl-[[(3S,4S)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane
CID 158326767
(2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxane-3,5-diol
CID 102125850
tert-butyl-diphenyl-[[(2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethynyl)oxan-2-yl]methoxy]silane
CID 11592982
(2R,3S,4R,5R,6R)-2-[(E)-4-[tert-butyl(diphenyl)silyl]oxybut-1-enyl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 11251211
tert-butyl-dimethyl-[4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybutoxy]silane
CID 178166627
(2S,3R,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-2,4-diol
CID 56636116
(2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 177419468
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 (2S,5S)-2-[2-[(2S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-phenylmethoxyoxan-2-yl]ethyl]-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-3-ol?
The IUPAC name of (2S,5S)-2-[2-[(2S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-phenylmethoxyoxan-2-yl]ethyl]-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-3-ol (CID 178184655) is (2S,5S)-2-[2-[(2S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-phenylmethoxyoxan-2-yl]ethyl]-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-3-ol.
What is the SMILES notation for (2S,5S)-2-[2-[(2S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-phenylmethoxyoxan-2-yl]ethyl]-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-3-ol?
The canonical SMILES for (2S,5S)-2-[2-[(2S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-phenylmethoxyoxan-2-yl]ethyl]-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-3-ol is C[C@@H]1C[C@H](CC[C@@H]2O[C@@H](CCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,5S)-2-[2-[(2S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-phenylmethoxyoxan-2-yl]ethyl]-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-3-ol?
The InChIKey is ZCLCXHPCBVFCHY-UBVVUZKZSA-N. The full InChI is InChI=1S/C45H68O6Si2/c1-34-30-37(51-42(33-49-52(8,9)44(2,3)4)43(34)47-32-35-20-13-10-14-21-35)27-28-41-40(46)31-36(50-41)22-19-29-48-53(45(5,6)7,38-23-15-11-16-24-38)39-25-17-12-18-26-39/h10-18,20-21,23-26,34,36-37,40-43,46H,19,22,27-33H2,1-9H3/t34-,36+,37+,40?,41+,42-,43+/m1/s1.
What are the key properties of (2S,5S)-2-[2-[(2S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-phenylmethoxyoxan-2-yl]ethyl]-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-3-ol?
(2S,5S)-2-[2-[(2S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-phenylmethoxyoxan-2-yl]ethyl]-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-3-ol has a molecular weight of 761.21 g/mol, XLogP of 9.04, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-[2-[(2S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-5-phenylmethoxyoxan-2-yl]ethyl]-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-3-ol is sourced from PubChem (CID 178184655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).