[(4S,5S)-5-[2-[2-[2-[[(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol

C68H70O10 — CID 101104905

IUPAC[(4S,5S)-5-[2-[2-[2-[[(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol
SMILESCC1(C)O[C@H](C(O)(c2ccccc2)c2ccccc2)[C@@H](C(OCCOCCOCCOC(c2ccccc2)(c2ccccc2)[C@H]2OC(C)(C)O[C@@H]2C(O)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C68H70O10/c1-63(2)75-59(65(69,51-29-13-5-14-30-51)52-31-15-6-16-32-52)61(77-63)67(55-37-21-9-22-38-55,56-39-23-10-24-40-56)73-49-47-71-45-46-72-48-50-74-68(57-41-25-11-26-42-57,58-43-27-12-28-44-58)62-60(76-64(3,4)78-62)66(70,53-33-17-7-18-34-53)54-35-19-8-20-36-54/h5-44,59-62,69-70H,45-50H2,1-4H3/t59-,60-,61-,62-/m0/s1
InChIKeyQWEGZTWLRWQUKQ-YYHFWCTESA-N
MW1047.30 g/mol
LogP11.85
Rot. Bonds23

About [(4S,5S)-5-[2-[2-[2-[[(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol

[(4S,5S)-5-[2-[2-[2-[[(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol (PubChem CID 101104905) has the molecular formula C68H70O10 and a molecular weight of 1047.30 g/mol. Its IUPAC name is [(4S,5S)-5-[2-[2-[2-[[(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(4S,5S)-5-[2-[2-[2-[[(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol
PubChem CID101104905
Molecular FormulaC68H70O10
Molecular Weight1047.30 g/mol
Exact Mass1046.50
IUPAC Name[(4S,5S)-5-[2-[2-[2-[[(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol
SMILESCC1(C)O[C@H](C(O)(c2ccccc2)c2ccccc2)[C@@H](C(OCCOCCOCCOC(c2ccccc2)(c2ccccc2)[C@H]2OC(C)(C)O[C@@H]2C(O)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C68H70O10/c1-63(2)75-59(65(69,51-29-13-5-14-30-51)52-31-15-6-16-32-52)61(77-63)67(55-37-21-9-22-38-55,56-39-23-10-24-40-56)73-49-47-71-45-46-72-48-50-74-68(57-41-25-11-26-42-57,58-43-27-12-28-44-58)62-60(76-64(3,4)78-62)66(70,53-33-17-7-18-34-53)54-35-19-8-20-36-54/h5-44,59-62,69-70H,45-50H2,1-4H3/t59-,60-,61-,62-/m0/s1
InChIKeyQWEGZTWLRWQUKQ-YYHFWCTESA-N
XLogP11.85
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001047.30
LogP ≤ 511.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [(4S,5S)-5-[2-[2-[2-[[(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-[2-[2-[2-[[(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol?
The IUPAC name of [(4S,5S)-5-[2-[2-[2-[[(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol (CID 101104905) is [(4S,5S)-5-[2-[2-[2-[[(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol.
What is the SMILES notation for [(4S,5S)-5-[2-[2-[2-[[(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol?
The canonical SMILES for [(4S,5S)-5-[2-[2-[2-[[(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol is CC1(C)O[C@H](C(O)(c2ccccc2)c2ccccc2)[C@@H](C(OCCOCCOCCOC(c2ccccc2)(c2ccccc2)[C@H]2OC(C)(C)O[C@@H]2C(O)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of [(4S,5S)-5-[2-[2-[2-[[(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol?
The InChIKey is QWEGZTWLRWQUKQ-YYHFWCTESA-N. The full InChI is InChI=1S/C68H70O10/c1-63(2)75-59(65(69,51-29-13-5-14-30-51)52-31-15-6-16-32-52)61(77-63)67(55-37-21-9-22-38-55,56-39-23-10-24-40-56)73-49-47-71-45-46-72-48-50-74-68(57-41-25-11-26-42-57,58-43-27-12-28-44-58)62-60(76-64(3,4)78-62)66(70,53-33-17-7-18-34-53)54-35-19-8-20-36-54/h5-44,59-62,69-70H,45-50H2,1-4H3/t59-,60-,61-,62-/m0/s1.
What are the key properties of [(4S,5S)-5-[2-[2-[2-[[(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol?
[(4S,5S)-5-[2-[2-[2-[[(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol has a molecular weight of 1047.30 g/mol, XLogP of 11.85, 23 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-5-[2-[2-[2-[[(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol is sourced from PubChem (CID 101104905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).