[diphenyl-[(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-6-trityloxyhexoxy]methyl]benzene

C60H74O6 — CID 90296827

IUPAC[diphenyl-[(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-6-trityloxyhexoxy]methyl]benzene
SMILESCCCCO[C@@H]([C@H](OCCCC)[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCCC)[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCCC
InChIInChI=1S/C60H74O6/c1-5-9-43-61-55(47-65-59(49-31-19-13-20-32-49,50-33-21-14-22-34-50)51-35-23-15-24-36-51)57(63-45-11-7-3)58(64-46-12-8-4)56(62-44-10-6-2)48-66-60(52-37-25-16-26-38-52,53-39-27-17-28-40-53)54-41-29-18-30-42-54/h13-42,55-58H,5-12,43-48H2,1-4H3/t55-,56-,57-,58-/m1/s1
InChIKeyYWDGXHUCLVDMKQ-YBJJJAAASA-N
MW891.25 g/mol
LogP13.74
Rot. Bonds31

About [diphenyl-[(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-6-trityloxyhexoxy]methyl]benzene

[diphenyl-[(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-6-trityloxyhexoxy]methyl]benzene (PubChem CID 90296827) has the molecular formula C60H74O6 and a molecular weight of 891.25 g/mol. Its IUPAC name is [diphenyl-[(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-6-trityloxyhexoxy]methyl]benzene.

Molecular Properties

Compound Name[diphenyl-[(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-6-trityloxyhexoxy]methyl]benzene
PubChem CID90296827
Molecular FormulaC60H74O6
Molecular Weight891.25 g/mol
Exact Mass890.55
IUPAC Name[diphenyl-[(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-6-trityloxyhexoxy]methyl]benzene
SMILESCCCCO[C@@H]([C@H](OCCCC)[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCCC)[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCCC
InChIInChI=1S/C60H74O6/c1-5-9-43-61-55(47-65-59(49-31-19-13-20-32-49,50-33-21-14-22-34-50)51-35-23-15-24-36-51)57(63-45-11-7-3)58(64-46-12-8-4)56(62-44-10-6-2)48-66-60(52-37-25-16-26-38-52,53-39-27-17-28-40-53)54-41-29-18-30-42-54/h13-42,55-58H,5-12,43-48H2,1-4H3/t55-,56-,57-,58-/m1/s1
InChIKeyYWDGXHUCLVDMKQ-YBJJJAAASA-N
XLogP13.74
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds31
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.25
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [diphenyl-[(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-6-trityloxyhexoxy]methyl]benzene with MolForge

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Related Compounds

(2R,3S,4S,5R)-2,5-dioctadecoxy-1,6-ditrityloxyhexane-3,4-diol
CID 88631205
(2R,3S,4S,5R)-2,5-didecoxy-1,6-ditrityloxyhexane-3,4-diol
CID 88631148
9-[(2S)-3-hydroxy-1-trityloxynonadecan-2-yl]oxynonanoic acid
CID 69043756
(2R)-2-hex-5-enoxy-1-trityloxynonadecan-3-ol
CID 67229541
(2R)-2-hex-5-enoxy-1-trityloxyundecan-3-ol
CID 67230401
1-tetradecoxy-3-trityloxypropan-2-ol
CID 12896847
(2R)-1-octoxy-3-trityloxypropan-2-ol
CID 67230477
(2R)-1-icosoxy-3-trityloxypropan-2-ol
CID 67327008
1-trityloxyoctadecan-2-ol
CID 10436974
(2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol
CID 14260773
(2R)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-octoxypropane-2-thiol
CID 10051358
[(3-octadecoxy-2-phenoxypropoxy)-diphenylmethyl]benzene
CID 154476961

Frequently Asked Questions

What is the IUPAC name of [diphenyl-[(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-6-trityloxyhexoxy]methyl]benzene?
The IUPAC name of [diphenyl-[(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-6-trityloxyhexoxy]methyl]benzene (CID 90296827) is [diphenyl-[(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-6-trityloxyhexoxy]methyl]benzene.
What is the SMILES notation for [diphenyl-[(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-6-trityloxyhexoxy]methyl]benzene?
The canonical SMILES for [diphenyl-[(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-6-trityloxyhexoxy]methyl]benzene is CCCCO[C@@H]([C@H](OCCCC)[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCCC)[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCCC.
What is the InChIKey of [diphenyl-[(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-6-trityloxyhexoxy]methyl]benzene?
The InChIKey is YWDGXHUCLVDMKQ-YBJJJAAASA-N. The full InChI is InChI=1S/C60H74O6/c1-5-9-43-61-55(47-65-59(49-31-19-13-20-32-49,50-33-21-14-22-34-50)51-35-23-15-24-36-51)57(63-45-11-7-3)58(64-46-12-8-4)56(62-44-10-6-2)48-66-60(52-37-25-16-26-38-52,53-39-27-17-28-40-53)54-41-29-18-30-42-54/h13-42,55-58H,5-12,43-48H2,1-4H3/t55-,56-,57-,58-/m1/s1.
What are the key properties of [diphenyl-[(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-6-trityloxyhexoxy]methyl]benzene?
[diphenyl-[(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-6-trityloxyhexoxy]methyl]benzene has a molecular weight of 891.25 g/mol, XLogP of 13.74, 31 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl-[(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-6-trityloxyhexoxy]methyl]benzene is sourced from PubChem (CID 90296827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).