benzyl [5-[(2R,4R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,3R,5R)-2-ethyl-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] phosphate

C82H93O16P — CID 159669661

IUPACbenzyl [5-[(2R,4R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,3R,5R)-2-ethyl-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] phosphate
SMILESCC[C@H]1O[C@@H](OCC(OCc2ccccc2)C(OCc2ccccc2)C(COP(=O)(OCc2ccccc2)O[C@@H]2C[C@H](OCC(OCc3ccccc3)C(OCc3ccccc3)C(COCc3ccc4ccccc4c3)OCc3ccccc3)O[C@@H]2CC)OCc2ccccc2)C[C@H]1O
InChIInChI=1S/C82H93O16P/c1-3-72-71(83)47-79(96-72)90-58-77(88-52-63-32-16-7-17-33-63)82(93-55-66-38-22-10-23-39-66)78(89-53-64-34-18-8-19-35-64)60-95-99(84,94-56-67-40-24-11-25-41-67)98-74-48-80(97-73(74)4-2)91-59-76(87-51-62-30-14-6-15-31-62)81(92-54-65-36-20-9-21-37-65)75(86-50-61-28-12-5-13-29-61)57-85-49-68-44-45-69-42-26-27-43-70(69)46-68/h5-46,71-83H,3-4,47-60H2,1-2H3/t71-,72-,73-,74-,75?,76?,77?,78?,79-,80-,81?,82?,99?/m1/s1
InChIKeyMTVLMHYRDFVLBJ-TZKUXPLOSA-N
MW1365.60 g/mol
LogP16.04
Rot. Bonds42

About benzyl [5-[(2R,4R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,3R,5R)-2-ethyl-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] phosphate

benzyl [5-[(2R,4R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,3R,5R)-2-ethyl-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] phosphate (PubChem CID 159669661) has the molecular formula C82H93O16P and a molecular weight of 1365.60 g/mol. Its IUPAC name is benzyl [5-[(2R,4R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,3R,5R)-2-ethyl-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] phosphate.

Molecular Properties

Compound Namebenzyl [5-[(2R,4R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,3R,5R)-2-ethyl-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] phosphate
PubChem CID159669661
Molecular FormulaC82H93O16P
Molecular Weight1365.60 g/mol
Exact Mass1364.62
IUPAC Namebenzyl [5-[(2R,4R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,3R,5R)-2-ethyl-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] phosphate
SMILESCC[C@H]1O[C@@H](OCC(OCc2ccccc2)C(OCc2ccccc2)C(COP(=O)(OCc2ccccc2)O[C@@H]2C[C@H](OCC(OCc3ccccc3)C(OCc3ccccc3)C(COCc3ccc4ccccc4c3)OCc3ccccc3)O[C@@H]2CC)OCc2ccccc2)C[C@H]1O
InChIInChI=1S/C82H93O16P/c1-3-72-71(83)47-79(96-72)90-58-77(88-52-63-32-16-7-17-33-63)82(93-55-66-38-22-10-23-39-66)78(89-53-64-34-18-8-19-35-64)60-95-99(84,94-56-67-40-24-11-25-41-67)98-74-48-80(97-73(74)4-2)91-59-76(87-51-62-30-14-6-15-31-62)81(92-54-65-36-20-9-21-37-65)75(86-50-61-28-12-5-13-29-61)57-85-49-68-44-45-69-42-26-27-43-70(69)46-68/h5-46,71-83H,3-4,47-60H2,1-2H3/t71-,72-,73-,74-,75?,76?,77?,78?,79-,80-,81?,82?,99?/m1/s1
InChIKeyMTVLMHYRDFVLBJ-TZKUXPLOSA-N
XLogP16.04
TPSA166.52 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds42
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001365.60
LogP ≤ 516.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze benzyl [5-[(2R,4R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,3R,5R)-2-ethyl-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] phosphate 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

benzyl [5-[(2R,5R)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,5R)-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] phosphate
CID 146946019
(2R,4S,5R)-2-ethyl-4-methoxy-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-3-phenylmethoxyoxolane;(2R,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-ol
CID 159078518
[4-hydroxy-5-(hydroxymethyl)-2-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] N,N-dimethylcarbamate
CID 134222070
(4aR,6R,7S)-7-fluoro-2,2-dimethyl-6-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine;(2R,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-ol
CID 158866324
(2S,3S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(naphthalen-2-ylmethoxy)-2,3-bis(phenylmethoxy)butan-1-ol
CID 25193976
1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene
CID 10985612
dibenzyl [(1R,3S,4S,6S)-2,3-bis[bis(phenylmethoxy)phosphoryloxy]-5-hydroxy-4,6-bis(phenylmethoxymethoxy)cyclohexyl] phosphate
CID 10418838
[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470
dibenzyl [(1R,2R,3S,4R,5R,6R)-3-bis(phenylmethoxy)phosphoryloxy-4-hydroxy-2,5,6-tris(phenylmethoxy)cyclohexyl] phosphate
CID 16744353
dibenzyl [(1R,2S,3R,4S,5S,6R)-2-bis(phenylmethoxy)phosphoryloxy-4,5-dihydroxy-3,6-bis(phenylmethoxy)cyclohexyl] phosphate
CID 10629497
(2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol
CID 122226978
dibenzyl (2-hydroxy-3-phenylmethoxypropyl) phosphate
CID 11487549

Frequently Asked Questions

What is the IUPAC name of benzyl [5-[(2R,4R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,3R,5R)-2-ethyl-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] phosphate?
The IUPAC name of benzyl [5-[(2R,4R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,3R,5R)-2-ethyl-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] phosphate (CID 159669661) is benzyl [5-[(2R,4R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,3R,5R)-2-ethyl-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] phosphate.
What is the SMILES notation for benzyl [5-[(2R,4R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,3R,5R)-2-ethyl-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] phosphate?
The canonical SMILES for benzyl [5-[(2R,4R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,3R,5R)-2-ethyl-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] phosphate is CC[C@H]1O[C@@H](OCC(OCc2ccccc2)C(OCc2ccccc2)C(COP(=O)(OCc2ccccc2)O[C@@H]2C[C@H](OCC(OCc3ccccc3)C(OCc3ccccc3)C(COCc3ccc4ccccc4c3)OCc3ccccc3)O[C@@H]2CC)OCc2ccccc2)C[C@H]1O.
What is the InChIKey of benzyl [5-[(2R,4R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,3R,5R)-2-ethyl-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] phosphate?
The InChIKey is MTVLMHYRDFVLBJ-TZKUXPLOSA-N. The full InChI is InChI=1S/C82H93O16P/c1-3-72-71(83)47-79(96-72)90-58-77(88-52-63-32-16-7-17-33-63)82(93-55-66-38-22-10-23-39-66)78(89-53-64-34-18-8-19-35-64)60-95-99(84,94-56-67-40-24-11-25-41-67)98-74-48-80(97-73(74)4-2)91-59-76(87-51-62-30-14-6-15-31-62)81(92-54-65-36-20-9-21-37-65)75(86-50-61-28-12-5-13-29-61)57-85-49-68-44-45-69-42-26-27-43-70(69)46-68/h5-46,71-83H,3-4,47-60H2,1-2H3/t71-,72-,73-,74-,75?,76?,77?,78?,79-,80-,81?,82?,99?/m1/s1.
What are the key properties of benzyl [5-[(2R,4R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,3R,5R)-2-ethyl-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] phosphate?
benzyl [5-[(2R,4R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,3R,5R)-2-ethyl-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] phosphate has a molecular weight of 1365.60 g/mol, XLogP of 16.04, 42 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl [5-[(2R,4R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [(2R,3R,5R)-2-ethyl-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] phosphate is sourced from PubChem (CID 159669661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).