(1S,2S,3R,4R)-1,2,3,4-tetrakis(phenylmethoxy)-5-[(3S,4S,5R,6S)-3,4,5,6-tetrakis(phenylmethoxy)-6-[(2R,3R,4R,5R)-2,3,4,5-tetrakis(phenylmethoxy)-6-trityloxyhexoxy]hexoxy]pentan-1-ol

C120H122O16 — CID 90294890

IUPAC(1S,2S,3R,4R)-1,2,3,4-tetrakis(phenylmethoxy)-5-[(3S,4S,5R,6S)-3,4,5,6-tetrakis(phenylmethoxy)-6-[(2R,3R,4R,5R)-2,3,4,5-tetrakis(phenylmethoxy)-6-trityloxyhexoxy]hexoxy]pentan-1-ol
SMILESO[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCC[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)OC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C120H122O16/c121-118(133-88-103-66-36-11-37-67-103)116(131-86-101-62-32-9-33-63-101)115(130-85-100-60-30-8-31-61-100)109(124-79-94-48-18-2-19-49-94)90-122-77-76-108(123-78-93-46-16-1-17-47-93)112(127-82-97-54-24-5-25-55-97)117(132-87-102-64-34-10-35-65-102)119(134-89-104-68-38-12-39-69-104)135-91-110(125-80-95-50-20-3-21-51-95)113(128-83-98-56-26-6-27-57-98)114(129-84-99-58-28-7-29-59-99)111(126-81-96-52-22-4-23-53-96)92-136-120(105-70-40-13-41-71-105,106-72-42-14-43-73-106)107-74-44-15-45-75-107/h1-75,108-119,121H,76-92H2/t108-,109+,110+,111+,112-,113+,114+,115+,116-,117+,118-,119-/m0/s1
InChIKeyGMGFTNWDYUJPKS-DMFHOZLZSA-N
MW1820.28 g/mol
LogP23.35
Rot. Bonds59

About (1S,2S,3R,4R)-1,2,3,4-tetrakis(phenylmethoxy)-5-[(3S,4S,5R,6S)-3,4,5,6-tetrakis(phenylmethoxy)-6-[(2R,3R,4R,5R)-2,3,4,5-tetrakis(phenylmethoxy)-6-trityloxyhexoxy]hexoxy]pentan-1-ol

(1S,2S,3R,4R)-1,2,3,4-tetrakis(phenylmethoxy)-5-[(3S,4S,5R,6S)-3,4,5,6-tetrakis(phenylmethoxy)-6-[(2R,3R,4R,5R)-2,3,4,5-tetrakis(phenylmethoxy)-6-trityloxyhexoxy]hexoxy]pentan-1-ol (PubChem CID 90294890) has the molecular formula C120H122O16 and a molecular weight of 1820.28 g/mol. Its IUPAC name is (1S,2S,3R,4R)-1,2,3,4-tetrakis(phenylmethoxy)-5-[(3S,4S,5R,6S)-3,4,5,6-tetrakis(phenylmethoxy)-6-[(2R,3R,4R,5R)-2,3,4,5-tetrakis(phenylmethoxy)-6-trityloxyhexoxy]hexoxy]pentan-1-ol.

Molecular Properties

Compound Name(1S,2S,3R,4R)-1,2,3,4-tetrakis(phenylmethoxy)-5-[(3S,4S,5R,6S)-3,4,5,6-tetrakis(phenylmethoxy)-6-[(2R,3R,4R,5R)-2,3,4,5-tetrakis(phenylmethoxy)-6-trityloxyhexoxy]hexoxy]pentan-1-ol
PubChem CID90294890
Molecular FormulaC120H122O16
Molecular Weight1820.28 g/mol
Exact Mass1818.87
IUPAC Name(1S,2S,3R,4R)-1,2,3,4-tetrakis(phenylmethoxy)-5-[(3S,4S,5R,6S)-3,4,5,6-tetrakis(phenylmethoxy)-6-[(2R,3R,4R,5R)-2,3,4,5-tetrakis(phenylmethoxy)-6-trityloxyhexoxy]hexoxy]pentan-1-ol
SMILESO[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCC[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)OC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C120H122O16/c121-118(133-88-103-66-36-11-37-67-103)116(131-86-101-62-32-9-33-63-101)115(130-85-100-60-30-8-31-61-100)109(124-79-94-48-18-2-19-49-94)90-122-77-76-108(123-78-93-46-16-1-17-47-93)112(127-82-97-54-24-5-25-55-97)117(132-87-102-64-34-10-35-65-102)119(134-89-104-68-38-12-39-69-104)135-91-110(125-80-95-50-20-3-21-51-95)113(128-83-98-56-26-6-27-57-98)114(129-84-99-58-28-7-29-59-99)111(126-81-96-52-22-4-23-53-96)92-136-120(105-70-40-13-41-71-105,106-72-42-14-43-73-106)107-74-44-15-45-75-107/h1-75,108-119,121H,76-92H2/t108-,109+,110+,111+,112-,113+,114+,115+,116-,117+,118-,119-/m0/s1
InChIKeyGMGFTNWDYUJPKS-DMFHOZLZSA-N
XLogP23.35
TPSA158.68 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds59
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001820.28
LogP ≤ 523.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze (1S,2S,3R,4R)-1,2,3,4-tetrakis(phenylmethoxy)-5-[(3S,4S,5R,6S)-3,4,5,6-tetrakis(phenylmethoxy)-6-[(2R,3R,4R,5R)-2,3,4,5-tetrakis(phenylmethoxy)-6-trityloxyhexoxy]hexoxy]pentan-1-ol 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

[[(2R,3R,4R,5R)-6-[(2S,3S,4S,5S)-6-[(2S,3S,4R,5R)-3,5-dimethyl-2,4-bis(phenylmethoxy)-6-trityloxyhexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-diphenylmethyl]benzene
CID 90294885
[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470
(2S)-1-phenylmethoxy-3-trityloxypropan-2-ol
CID 11582634
[(2R,3R,4S)-4-azido-2,5-bis(phenylmethoxy)-1-trityloxypentan-3-yl]oxymethylbenzene
CID 10996058
(2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol
CID 122226978
[diphenyl-[(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-6-trityloxyhexoxy]methyl]benzene
CID 90296827
(2S,3R,4R,5S,6S,7S,8R,9S,10R,11R)-2,3,4,6,7,8,9,10,11,12-decakis(phenylmethoxy)dodecane-1,5-diol
CID 10653976
2-phenylmethoxy-3-trityloxypropan-1-olate
CID 140661134
1,4-ditrityloxybutan-2-ol
CID 13443283
[diphenyl(2-phenylmethoxyethoxy)methyl]benzene
CID 99938038
1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene
CID 10985612
[(1R,2S)-2-phenylmethoxy-1-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]but-3-enoxy]methylbenzene
CID 101489173

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,4R)-1,2,3,4-tetrakis(phenylmethoxy)-5-[(3S,4S,5R,6S)-3,4,5,6-tetrakis(phenylmethoxy)-6-[(2R,3R,4R,5R)-2,3,4,5-tetrakis(phenylmethoxy)-6-trityloxyhexoxy]hexoxy]pentan-1-ol?
The IUPAC name of (1S,2S,3R,4R)-1,2,3,4-tetrakis(phenylmethoxy)-5-[(3S,4S,5R,6S)-3,4,5,6-tetrakis(phenylmethoxy)-6-[(2R,3R,4R,5R)-2,3,4,5-tetrakis(phenylmethoxy)-6-trityloxyhexoxy]hexoxy]pentan-1-ol (CID 90294890) is (1S,2S,3R,4R)-1,2,3,4-tetrakis(phenylmethoxy)-5-[(3S,4S,5R,6S)-3,4,5,6-tetrakis(phenylmethoxy)-6-[(2R,3R,4R,5R)-2,3,4,5-tetrakis(phenylmethoxy)-6-trityloxyhexoxy]hexoxy]pentan-1-ol.
What is the SMILES notation for (1S,2S,3R,4R)-1,2,3,4-tetrakis(phenylmethoxy)-5-[(3S,4S,5R,6S)-3,4,5,6-tetrakis(phenylmethoxy)-6-[(2R,3R,4R,5R)-2,3,4,5-tetrakis(phenylmethoxy)-6-trityloxyhexoxy]hexoxy]pentan-1-ol?
The canonical SMILES for (1S,2S,3R,4R)-1,2,3,4-tetrakis(phenylmethoxy)-5-[(3S,4S,5R,6S)-3,4,5,6-tetrakis(phenylmethoxy)-6-[(2R,3R,4R,5R)-2,3,4,5-tetrakis(phenylmethoxy)-6-trityloxyhexoxy]hexoxy]pentan-1-ol is O[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCC[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)OC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (1S,2S,3R,4R)-1,2,3,4-tetrakis(phenylmethoxy)-5-[(3S,4S,5R,6S)-3,4,5,6-tetrakis(phenylmethoxy)-6-[(2R,3R,4R,5R)-2,3,4,5-tetrakis(phenylmethoxy)-6-trityloxyhexoxy]hexoxy]pentan-1-ol?
The InChIKey is GMGFTNWDYUJPKS-DMFHOZLZSA-N. The full InChI is InChI=1S/C120H122O16/c121-118(133-88-103-66-36-11-37-67-103)116(131-86-101-62-32-9-33-63-101)115(130-85-100-60-30-8-31-61-100)109(124-79-94-48-18-2-19-49-94)90-122-77-76-108(123-78-93-46-16-1-17-47-93)112(127-82-97-54-24-5-25-55-97)117(132-87-102-64-34-10-35-65-102)119(134-89-104-68-38-12-39-69-104)135-91-110(125-80-95-50-20-3-21-51-95)113(128-83-98-56-26-6-27-57-98)114(129-84-99-58-28-7-29-59-99)111(126-81-96-52-22-4-23-53-96)92-136-120(105-70-40-13-41-71-105,106-72-42-14-43-73-106)107-74-44-15-45-75-107/h1-75,108-119,121H,76-92H2/t108-,109+,110+,111+,112-,113+,114+,115+,116-,117+,118-,119-/m0/s1.
What are the key properties of (1S,2S,3R,4R)-1,2,3,4-tetrakis(phenylmethoxy)-5-[(3S,4S,5R,6S)-3,4,5,6-tetrakis(phenylmethoxy)-6-[(2R,3R,4R,5R)-2,3,4,5-tetrakis(phenylmethoxy)-6-trityloxyhexoxy]hexoxy]pentan-1-ol?
(1S,2S,3R,4R)-1,2,3,4-tetrakis(phenylmethoxy)-5-[(3S,4S,5R,6S)-3,4,5,6-tetrakis(phenylmethoxy)-6-[(2R,3R,4R,5R)-2,3,4,5-tetrakis(phenylmethoxy)-6-trityloxyhexoxy]hexoxy]pentan-1-ol has a molecular weight of 1820.28 g/mol, XLogP of 23.35, 59 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,4R)-1,2,3,4-tetrakis(phenylmethoxy)-5-[(3S,4S,5R,6S)-3,4,5,6-tetrakis(phenylmethoxy)-6-[(2R,3R,4R,5R)-2,3,4,5-tetrakis(phenylmethoxy)-6-trityloxyhexoxy]hexoxy]pentan-1-ol is sourced from PubChem (CID 90294890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).