[(2R,3R,4R,5S)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(tritylamino)hexyl] formate

C47H47NO6 — CID 10865450

IUPAC[(2R,3R,4R,5S)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(tritylamino)hexyl] formate
SMILESO=COC[C@@H](O)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](CNC(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C47H47NO6/c49-36-51-35-43(50)45(53-33-38-21-9-2-10-22-38)46(54-34-39-23-11-3-12-24-39)44(52-32-37-19-7-1-8-20-37)31-48-47(40-25-13-4-14-26-40,41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-30,36,43-46,48,50H,31-35H2/t43-,44+,45-,46-/m1/s1
InChIKeyCLLAEKXBUHNJDA-GZOSUITBSA-N
MW721.89 g/mol
LogP7.86
Rot. Bonds21

About [(2R,3R,4R,5S)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(tritylamino)hexyl] formate

[(2R,3R,4R,5S)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(tritylamino)hexyl] formate (PubChem CID 10865450) has the molecular formula C47H47NO6 and a molecular weight of 721.89 g/mol. Its IUPAC name is [(2R,3R,4R,5S)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(tritylamino)hexyl] formate.

Molecular Properties

Compound Name[(2R,3R,4R,5S)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(tritylamino)hexyl] formate
PubChem CID10865450
Molecular FormulaC47H47NO6
Molecular Weight721.89 g/mol
Exact Mass721.34
IUPAC Name[(2R,3R,4R,5S)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(tritylamino)hexyl] formate
SMILESO=COC[C@@H](O)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](CNC(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C47H47NO6/c49-36-51-35-43(50)45(53-33-38-21-9-2-10-22-38)46(54-34-39-23-11-3-12-24-39)44(52-32-37-19-7-1-8-20-37)31-48-47(40-25-13-4-14-26-40,41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-30,36,43-46,48,50H,31-35H2/t43-,44+,45-,46-/m1/s1
InChIKeyCLLAEKXBUHNJDA-GZOSUITBSA-N
XLogP7.86
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.89
LogP ≤ 57.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2R,3R,4R,5S)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(tritylamino)hexyl] formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R,4R)-4-[(2S)-oxiran-2-yl]-2,3,4-tris(phenylmethoxy)-N-tritylbutan-1-amine
CID 11767578
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal
CID 87261996
(2R,3S,4R,5S)-6-amino-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-ol
CID 101237223
(3R,4R,5R)-5,6-dihydroxy-3,4-bis(phenylmethoxy)hexanal
CID 87262078
(2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol
CID 10893804
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470
[(2S,3R,4S)-1,3,4,5-tetrakis(phenylmethoxy)pentan-2-yl] formate
CID 177394840
(2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal
CID 54316923
(2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol
CID 11048386
(2S,3R,4R,5S)-5-hydroxy-2,3,4-tris(phenylmethoxy)hexanal
CID 18610492

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5S)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(tritylamino)hexyl] formate?
The IUPAC name of [(2R,3R,4R,5S)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(tritylamino)hexyl] formate (CID 10865450) is [(2R,3R,4R,5S)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(tritylamino)hexyl] formate.
What is the SMILES notation for [(2R,3R,4R,5S)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(tritylamino)hexyl] formate?
The canonical SMILES for [(2R,3R,4R,5S)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(tritylamino)hexyl] formate is O=COC[C@@H](O)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](CNC(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of [(2R,3R,4R,5S)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(tritylamino)hexyl] formate?
The InChIKey is CLLAEKXBUHNJDA-GZOSUITBSA-N. The full InChI is InChI=1S/C47H47NO6/c49-36-51-35-43(50)45(53-33-38-21-9-2-10-22-38)46(54-34-39-23-11-3-12-24-39)44(52-32-37-19-7-1-8-20-37)31-48-47(40-25-13-4-14-26-40,41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-30,36,43-46,48,50H,31-35H2/t43-,44+,45-,46-/m1/s1.
What are the key properties of [(2R,3R,4R,5S)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(tritylamino)hexyl] formate?
[(2R,3R,4R,5S)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(tritylamino)hexyl] formate has a molecular weight of 721.89 g/mol, XLogP of 7.86, 21 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5S)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(tritylamino)hexyl] formate is sourced from PubChem (CID 10865450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).