5-[[(2R,3R,4S,5R,6R)-6-[2-(1H-indol-3-yl)ethoxy]-3-[[1-[(4-methoxyphenyl)-diphenylmethyl]imidazol-4-yl]methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine

C59H64N4O7 — CID 10953098

IUPAC5-[[(2R,3R,4S,5R,6R)-6-[2-(1H-indol-3-yl)ethoxy]-3-[[1-[(4-methoxyphenyl)-diphenylmethyl]imidazol-4-yl]methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine
SMILESCOc1ccc(C(c2ccccc2)(c2ccccc2)n2cnc(CO[C@H]3[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCCc4c[nH]c5ccccc45)O[C@@H]3COCCCCCN)c2)cc1
InChIInChI=1S/C59H64N4O7/c1-64-51-31-29-49(30-32-51)59(47-23-11-4-12-24-47,48-25-13-5-14-26-48)63-38-50(62-43-63)41-69-55-54(42-65-35-18-6-17-34-60)70-58(66-36-33-46-37-61-53-28-16-15-27-52(46)53)57(68-40-45-21-9-3-10-22-45)56(55)67-39-44-19-7-2-8-20-44/h2-5,7-16,19-32,37-38,43,54-58,61H,6,17-18,33-36,39-42,60H2,1H3/t54-,55-,56+,57-,58-/m1/s1
InChIKeyKNCQMJXVAZVJFX-NPFKPMQXSA-N
MW941.18 g/mol
LogP10.40
Rot. Bonds25

About 5-[[(2R,3R,4S,5R,6R)-6-[2-(1H-indol-3-yl)ethoxy]-3-[[1-[(4-methoxyphenyl)-diphenylmethyl]imidazol-4-yl]methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine

5-[[(2R,3R,4S,5R,6R)-6-[2-(1H-indol-3-yl)ethoxy]-3-[[1-[(4-methoxyphenyl)-diphenylmethyl]imidazol-4-yl]methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine (PubChem CID 10953098) has the molecular formula C59H64N4O7 and a molecular weight of 941.18 g/mol. Its IUPAC name is 5-[[(2R,3R,4S,5R,6R)-6-[2-(1H-indol-3-yl)ethoxy]-3-[[1-[(4-methoxyphenyl)-diphenylmethyl]imidazol-4-yl]methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine.

Molecular Properties

Compound Name5-[[(2R,3R,4S,5R,6R)-6-[2-(1H-indol-3-yl)ethoxy]-3-[[1-[(4-methoxyphenyl)-diphenylmethyl]imidazol-4-yl]methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine
PubChem CID10953098
Molecular FormulaC59H64N4O7
Molecular Weight941.18 g/mol
Exact Mass940.48
IUPAC Name5-[[(2R,3R,4S,5R,6R)-6-[2-(1H-indol-3-yl)ethoxy]-3-[[1-[(4-methoxyphenyl)-diphenylmethyl]imidazol-4-yl]methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine
SMILESCOc1ccc(C(c2ccccc2)(c2ccccc2)n2cnc(CO[C@H]3[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCCc4c[nH]c5ccccc45)O[C@@H]3COCCCCCN)c2)cc1
InChIInChI=1S/C59H64N4O7/c1-64-51-31-29-49(30-32-51)59(47-23-11-4-12-24-47,48-25-13-5-14-26-48)63-38-50(62-43-63)41-69-55-54(42-65-35-18-6-17-34-60)70-58(66-36-33-46-37-61-53-28-16-15-27-52(46)53)57(68-40-45-21-9-3-10-22-45)56(55)67-39-44-19-7-2-8-20-44/h2-5,7-16,19-32,37-38,43,54-58,61H,6,17-18,33-36,39-42,60H2,1H3/t54-,55-,56+,57-,58-/m1/s1
InChIKeyKNCQMJXVAZVJFX-NPFKPMQXSA-N
XLogP10.40
TPSA124.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.18
LogP ≤ 510.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-[[(2R,3R,4S,5R,6R)-6-[2-(1H-indol-3-yl)ethoxy]-3-[[1-[(4-methoxyphenyl)-diphenylmethyl]imidazol-4-yl]methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine with MolForge

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Related Compounds

3-[2-[(2R,3R,4S,5R,6R)-6-(4-azidobutoxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyethyl]-1H-indole
CID 54059930
3-[2-[(2R,3R,5S,6R)-6-(5-azidopentoxymethyl)-3-[[1-[(4-methoxyphenyl)-diphenylmethyl]imidazol-4-yl]methoxy]-5-phenylmethoxyoxan-2-yl]oxyethyl]-1-(benzenesulfonyl)indole
CID 10510203
5-[[(2R,3R,4S,5R,6R)-6-[2-[1-(benzenesulfonyl)indol-3-yl]ethoxy]-4,5-bis(phenylmethoxy)-3-(pyridin-4-ylmethoxy)oxan-2-yl]methoxy]pentan-1-amine
CID 10941827
(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane
CID 10887663
(2R,3R,4S,5R)-2-(8-bromooctoxymethyl)-3,4,5,6-tetrakis(phenylmethoxy)oxane
CID 166517588
(2R,3R,4S,5R,6R)-2-hexadecoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10259591
(2S,3S,4R,5R)-2-methoxy-5-[(4-methoxyphenyl)methoxymethyl]-3-[(2S,3S,4R,5R)-5-[(4-methoxyphenyl)methoxymethyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]oxy-4-phenylmethoxyoxolane
CID 46895701
(3S,4R,5R)-2-(2-phenylethoxy)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 102030658
4-[(E)-2-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]ethenyl]-1-tritylimidazole
CID 25270681
1-(2-naphthalen-2-yloxyethyl)-4-[[(2S,3R,4S,5R,6R)-6-[[1-(2-naphthalen-2-yloxyethyl)triazol-4-yl]methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]triazole
CID 164620830
(2S,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 100914116
8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-yl]oxyoctan-1-ol
CID 71814240

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R,3R,4S,5R,6R)-6-[2-(1H-indol-3-yl)ethoxy]-3-[[1-[(4-methoxyphenyl)-diphenylmethyl]imidazol-4-yl]methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine?
The IUPAC name of 5-[[(2R,3R,4S,5R,6R)-6-[2-(1H-indol-3-yl)ethoxy]-3-[[1-[(4-methoxyphenyl)-diphenylmethyl]imidazol-4-yl]methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine (CID 10953098) is 5-[[(2R,3R,4S,5R,6R)-6-[2-(1H-indol-3-yl)ethoxy]-3-[[1-[(4-methoxyphenyl)-diphenylmethyl]imidazol-4-yl]methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine.
What is the SMILES notation for 5-[[(2R,3R,4S,5R,6R)-6-[2-(1H-indol-3-yl)ethoxy]-3-[[1-[(4-methoxyphenyl)-diphenylmethyl]imidazol-4-yl]methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine?
The canonical SMILES for 5-[[(2R,3R,4S,5R,6R)-6-[2-(1H-indol-3-yl)ethoxy]-3-[[1-[(4-methoxyphenyl)-diphenylmethyl]imidazol-4-yl]methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine is COc1ccc(C(c2ccccc2)(c2ccccc2)n2cnc(CO[C@H]3[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCCc4c[nH]c5ccccc45)O[C@@H]3COCCCCCN)c2)cc1.
What is the InChIKey of 5-[[(2R,3R,4S,5R,6R)-6-[2-(1H-indol-3-yl)ethoxy]-3-[[1-[(4-methoxyphenyl)-diphenylmethyl]imidazol-4-yl]methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine?
The InChIKey is KNCQMJXVAZVJFX-NPFKPMQXSA-N. The full InChI is InChI=1S/C59H64N4O7/c1-64-51-31-29-49(30-32-51)59(47-23-11-4-12-24-47,48-25-13-5-14-26-48)63-38-50(62-43-63)41-69-55-54(42-65-35-18-6-17-34-60)70-58(66-36-33-46-37-61-53-28-16-15-27-52(46)53)57(68-40-45-21-9-3-10-22-45)56(55)67-39-44-19-7-2-8-20-44/h2-5,7-16,19-32,37-38,43,54-58,61H,6,17-18,33-36,39-42,60H2,1H3/t54-,55-,56+,57-,58-/m1/s1.
What are the key properties of 5-[[(2R,3R,4S,5R,6R)-6-[2-(1H-indol-3-yl)ethoxy]-3-[[1-[(4-methoxyphenyl)-diphenylmethyl]imidazol-4-yl]methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine?
5-[[(2R,3R,4S,5R,6R)-6-[2-(1H-indol-3-yl)ethoxy]-3-[[1-[(4-methoxyphenyl)-diphenylmethyl]imidazol-4-yl]methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine has a molecular weight of 941.18 g/mol, XLogP of 10.40, 25 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R,3R,4S,5R,6R)-6-[2-(1H-indol-3-yl)ethoxy]-3-[[1-[(4-methoxyphenyl)-diphenylmethyl]imidazol-4-yl]methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine is sourced from PubChem (CID 10953098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).