(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

C94H104O17 — CID 159078518

IUPAC(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
SMILESCC[C@H]1O[C@@H](OCC(OCc2ccccc2)C(OCc2ccccc2)C(COCc2ccc3ccccc3c2)OCc2ccccc2)[C@@H](OC)C1OCc1ccccc1.CO[C@H]1C(O)[C@@H](CO)O[C@H]1OCC(OCc1ccccc1)C(OCc1ccccc1)C(COCc1ccc2ccccc2c1)OCc1ccccc1
InChIInChI=1S/C51H56O8.C43H48O9/c1-3-45-49(57-35-41-24-14-7-15-25-41)50(52-2)51(59-45)58-37-47(55-33-39-20-10-5-11-21-39)48(56-34-40-22-12-6-13-23-40)46(54-32-38-18-8-4-9-19-38)36-53-31-42-28-29-43-26-16-17-27-44(43)30-42;1-46-42-40(45)37(24-44)52-43(42)51-30-39(49-27-32-15-7-3-8-16-32)41(50-28-33-17-9-4-10-18-33)38(48-26-31-13-5-2-6-14-31)29-47-25-34-21-22-35-19-11-12-20-36(35)23-34/h4-30,45-51H,3,31-37H2,1-2H3;2-23,37-45H,24-30H2,1H3/t45-,46?,47?,48?,49?,50+,51-;37-,38?,39?,40?,41?,42+,43-/m11/s1
InChIKeyKAOCSRPRMIELTA-KNUNRACWSA-N
MW1505.85 g/mol
LogP16.09
Rot. Bonds43

About (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

(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 (PubChem CID 159078518) has the molecular formula C94H104O17 and a molecular weight of 1505.85 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID159078518
Molecular FormulaC94H104O17
Molecular Weight1505.85 g/mol
Exact Mass1504.73
IUPAC Name(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
SMILESCC[C@H]1O[C@@H](OCC(OCc2ccccc2)C(OCc2ccccc2)C(COCc2ccc3ccccc3c2)OCc2ccccc2)[C@@H](OC)C1OCc1ccccc1.CO[C@H]1C(O)[C@@H](CO)O[C@H]1OCC(OCc1ccccc1)C(OCc1ccccc1)C(COCc1ccc2ccccc2c1)OCc1ccccc1
InChIInChI=1S/C51H56O8.C43H48O9/c1-3-45-49(57-35-41-24-14-7-15-25-41)50(52-2)51(59-45)58-37-47(55-33-39-20-10-5-11-21-39)48(56-34-40-22-12-6-13-23-40)46(54-32-38-18-8-4-9-19-38)36-53-31-42-28-29-43-26-16-17-27-44(43)30-42;1-46-42-40(45)37(24-44)52-43(42)51-30-39(49-27-32-15-7-3-8-16-32)41(50-28-33-17-9-4-10-18-33)38(48-26-31-13-5-2-6-14-31)29-47-25-34-21-22-35-19-11-12-20-36(35)23-34/h4-30,45-51H,3,31-37H2,1-2H3;2-23,37-45H,24-30H2,1H3/t45-,46?,47?,48?,49?,50+,51-;37-,38?,39?,40?,41?,42+,43-/m11/s1
InChIKeyKAOCSRPRMIELTA-KNUNRACWSA-N
XLogP16.09
TPSA178.91 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds43
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001505.85
LogP ≤ 516.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze (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 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

[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
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
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 102185522
(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-4-(naphthalen-2-ylmethoxy)-5-phenylmethoxy-6-phenylsulfanyloxan-3-ol
CID 11961727
(2R,3R,4S,5R,6R)-2-(naphthalen-2-ylmethoxymethyl)-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxan-3-ol
CID 101187106
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxane-3,5-diol
CID 10379133
(2R,3R,4R,5R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-prop-2-enoxy-5-[(2S,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentoxy]oxolane
CID 14211901
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxy-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol
CID 101071806
(3R,4R,6R)-5-amino-6-[(1S,2R,4R)-4,6-diamino-3-hydroxy-2-(naphthalen-2-ylmethoxy)cyclohexyl]oxy-2-(hydroxymethyl)-4-(naphthalen-2-ylmethoxy)oxan-3-ol
CID 59612286
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 10629194
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 10259776

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC[C@H]1O[C@@H](OCC(OCc2ccccc2)C(OCc2ccccc2)C(COCc2ccc3ccccc3c2)OCc2ccccc2)[C@@H](OC)C1OCc1ccccc1.CO[C@H]1C(O)[C@@H](CO)O[C@H]1OCC(OCc1ccccc1)C(OCc1ccccc1)C(COCc1ccc2ccccc2c1)OCc1ccccc1.
What is the InChIKey of (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?
The InChIKey is KAOCSRPRMIELTA-KNUNRACWSA-N. The full InChI is InChI=1S/C51H56O8.C43H48O9/c1-3-45-49(57-35-41-24-14-7-15-25-41)50(52-2)51(59-45)58-37-47(55-33-39-20-10-5-11-21-39)48(56-34-40-22-12-6-13-23-40)46(54-32-38-18-8-4-9-19-38)36-53-31-42-28-29-43-26-16-17-27-44(43)30-42;1-46-42-40(45)37(24-44)52-43(42)51-30-39(49-27-32-15-7-3-8-16-32)41(50-28-33-17-9-4-10-18-33)38(48-26-31-13-5-2-6-14-31)29-47-25-34-21-22-35-19-11-12-20-36(35)23-34/h4-30,45-51H,3,31-37H2,1-2H3;2-23,37-45H,24-30H2,1H3/t45-,46?,47?,48?,49?,50+,51-;37-,38?,39?,40?,41?,42+,43-/m11/s1.
What are the key properties of (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?
(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 has a molecular weight of 1505.85 g/mol, XLogP of 16.09, 43 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 159078518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).