[(2R,3S,4S,5S)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[(4-chlorophenyl)methoxy]-5-methoxy-2-(methoxymethyl)oxolan-2-yl]methanol

C37H41ClO8 — CID 118644819

IUPAC[(2R,3S,4S,5S)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[(4-chlorophenyl)methoxy]-5-methoxy-2-(methoxymethyl)oxolan-2-yl]methanol
SMILESCOC[C@@]1(CO)O[C@H](OC)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)[C@@H]1OCc1ccc(Cl)cc1
InChIInChI=1S/C37H41ClO8/c1-40-25-36(24-39)34(44-22-26-10-16-30(38)17-11-26)33(35(43-4)46-36)23-45-37(27-8-6-5-7-9-27,28-12-18-31(41-2)19-13-28)29-14-20-32(42-3)21-15-29/h5-21,33-35,39H,22-25H2,1-4H3/t33-,34-,35-,36+/m0/s1
InChIKeyBZCVROUIWIXCRP-SKXFTCKDSA-N
MW649.18 g/mol
LogP6.25
Rot. Bonds15

About [(2R,3S,4S,5S)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[(4-chlorophenyl)methoxy]-5-methoxy-2-(methoxymethyl)oxolan-2-yl]methanol

[(2R,3S,4S,5S)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[(4-chlorophenyl)methoxy]-5-methoxy-2-(methoxymethyl)oxolan-2-yl]methanol (PubChem CID 118644819) has the molecular formula C37H41ClO8 and a molecular weight of 649.18 g/mol. Its IUPAC name is [(2R,3S,4S,5S)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[(4-chlorophenyl)methoxy]-5-methoxy-2-(methoxymethyl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,4S,5S)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[(4-chlorophenyl)methoxy]-5-methoxy-2-(methoxymethyl)oxolan-2-yl]methanol
PubChem CID118644819
Molecular FormulaC37H41ClO8
Molecular Weight649.18 g/mol
Exact Mass648.25
IUPAC Name[(2R,3S,4S,5S)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[(4-chlorophenyl)methoxy]-5-methoxy-2-(methoxymethyl)oxolan-2-yl]methanol
SMILESCOC[C@@]1(CO)O[C@H](OC)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)[C@@H]1OCc1ccc(Cl)cc1
InChIInChI=1S/C37H41ClO8/c1-40-25-36(24-39)34(44-22-26-10-16-30(38)17-11-26)33(35(43-4)46-36)23-45-37(27-8-6-5-7-9-27,28-12-18-31(41-2)19-13-28)29-14-20-32(42-3)21-15-29/h5-21,33-35,39H,22-25H2,1-4H3/t33-,34-,35-,36+/m0/s1
InChIKeyBZCVROUIWIXCRP-SKXFTCKDSA-N
XLogP6.25
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.18
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(2R,3S,4S,5S)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[(4-chlorophenyl)methoxy]-5-methoxy-2-(methoxymethyl)oxolan-2-yl]methanol 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,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol
CID 102329501
(3R,4S,5R,6R)-3,5-bis[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-6-(trityloxymethyl)oxan-2-ol
CID 10897967
(2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol
CID 10994273
2-chloro-4-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]phenol
CID 56614501
N-[(2S,3S,4R,5R)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4,5-dihydroxy-2-phenylmethoxyoxan-3-yl]acetamide
CID 57370145
(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
CID 71608137
(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane
CID 10861318
[(1S,4R,7S)-3-methoxy-7-[(4-methoxyphenyl)methoxy]-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol
CID 13009662
(2R,3R,4S,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethylsulfanyl-4-phenylmethoxyoxolan-3-ol
CID 11308630
4-[(4-methoxyphenyl)-[(5-methyloxolan-2-yl)methoxy]-phenylmethyl]phenol
CID 171805579
(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol
CID 11734771
1-[(2R,4S,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-fluoro-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 169068365

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5S)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[(4-chlorophenyl)methoxy]-5-methoxy-2-(methoxymethyl)oxolan-2-yl]methanol?
The IUPAC name of [(2R,3S,4S,5S)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[(4-chlorophenyl)methoxy]-5-methoxy-2-(methoxymethyl)oxolan-2-yl]methanol (CID 118644819) is [(2R,3S,4S,5S)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[(4-chlorophenyl)methoxy]-5-methoxy-2-(methoxymethyl)oxolan-2-yl]methanol.
What is the SMILES notation for [(2R,3S,4S,5S)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[(4-chlorophenyl)methoxy]-5-methoxy-2-(methoxymethyl)oxolan-2-yl]methanol?
The canonical SMILES for [(2R,3S,4S,5S)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[(4-chlorophenyl)methoxy]-5-methoxy-2-(methoxymethyl)oxolan-2-yl]methanol is COC[C@@]1(CO)O[C@H](OC)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)[C@@H]1OCc1ccc(Cl)cc1.
What is the InChIKey of [(2R,3S,4S,5S)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[(4-chlorophenyl)methoxy]-5-methoxy-2-(methoxymethyl)oxolan-2-yl]methanol?
The InChIKey is BZCVROUIWIXCRP-SKXFTCKDSA-N. The full InChI is InChI=1S/C37H41ClO8/c1-40-25-36(24-39)34(44-22-26-10-16-30(38)17-11-26)33(35(43-4)46-36)23-45-37(27-8-6-5-7-9-27,28-12-18-31(41-2)19-13-28)29-14-20-32(42-3)21-15-29/h5-21,33-35,39H,22-25H2,1-4H3/t33-,34-,35-,36+/m0/s1.
What are the key properties of [(2R,3S,4S,5S)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[(4-chlorophenyl)methoxy]-5-methoxy-2-(methoxymethyl)oxolan-2-yl]methanol?
[(2R,3S,4S,5S)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[(4-chlorophenyl)methoxy]-5-methoxy-2-(methoxymethyl)oxolan-2-yl]methanol has a molecular weight of 649.18 g/mol, XLogP of 6.25, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5S)-4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[(4-chlorophenyl)methoxy]-5-methoxy-2-(methoxymethyl)oxolan-2-yl]methanol is sourced from PubChem (CID 118644819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).