methyl (2S,4S,5R,6R)-5-[acetyl(benzyl)amino]-2-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4-phenylmethoxy-6-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]oxane-2-carboxylate

C75H81NO14 — CID 101468459

IUPACmethyl (2S,4S,5R,6R)-5-[acetyl(benzyl)amino]-2-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4-phenylmethoxy-6-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]oxane-2-carboxylate
SMILESCOC(=O)[C@]1(OC[C@H]2O[C@H](OC)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)C[C@H](OCc2ccccc2)[C@@H](N(Cc2ccccc2)C(C)=O)[C@H]([C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OCc2ccccc2)O1
InChIInChI=1S/C75H81NO14/c1-55(77)76(45-56-28-12-4-13-29-56)67-64(82-47-58-32-16-6-17-33-58)44-75(74(78)80-3,90-70(67)68(84-49-60-36-20-8-21-37-60)65(83-48-59-34-18-7-19-35-59)53-81-46-57-30-14-5-15-31-57)88-54-66-69(85-50-61-38-22-9-23-39-61)71(86-51-62-40-24-10-25-41-62)72(73(79-2)89-66)87-52-63-42-26-11-27-43-63/h4-43,64-73H,44-54H2,1-3H3/t64-,65+,66+,67+,68+,69-,70+,71-,72+,73-,75-/m0/s1
InChIKeyCGUSXYQYOXBMQH-HQHPRKIQSA-N
MW1220.47 g/mol
LogP12.18
Rot. Bonds32

About methyl (2S,4S,5R,6R)-5-[acetyl(benzyl)amino]-2-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4-phenylmethoxy-6-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]oxane-2-carboxylate

methyl (2S,4S,5R,6R)-5-[acetyl(benzyl)amino]-2-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4-phenylmethoxy-6-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]oxane-2-carboxylate (PubChem CID 101468459) has the molecular formula C75H81NO14 and a molecular weight of 1220.47 g/mol. Its IUPAC name is methyl (2S,4S,5R,6R)-5-[acetyl(benzyl)amino]-2-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4-phenylmethoxy-6-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]oxane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S,5R,6R)-5-[acetyl(benzyl)amino]-2-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4-phenylmethoxy-6-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]oxane-2-carboxylate
PubChem CID101468459
Molecular FormulaC75H81NO14
Molecular Weight1220.47 g/mol
Exact Mass1219.57
IUPAC Namemethyl (2S,4S,5R,6R)-5-[acetyl(benzyl)amino]-2-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4-phenylmethoxy-6-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]oxane-2-carboxylate
SMILESCOC(=O)[C@]1(OC[C@H]2O[C@H](OC)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)C[C@H](OCc2ccccc2)[C@@H](N(Cc2ccccc2)C(C)=O)[C@H]([C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OCc2ccccc2)O1
InChIInChI=1S/C75H81NO14/c1-55(77)76(45-56-28-12-4-13-29-56)67-64(82-47-58-32-16-6-17-33-58)44-75(74(78)80-3,90-70(67)68(84-49-60-36-20-8-21-37-60)65(83-48-59-34-18-7-19-35-59)53-81-46-57-30-14-5-15-31-57)88-54-66-69(85-50-61-38-22-9-23-39-61)71(86-51-62-40-24-10-25-41-62)72(73(79-2)89-66)87-52-63-42-26-11-27-43-63/h4-43,64-73H,44-54H2,1-3H3/t64-,65+,66+,67+,68+,69-,70+,71-,72+,73-,75-/m0/s1
InChIKeyCGUSXYQYOXBMQH-HQHPRKIQSA-N
XLogP12.18
TPSA148.14 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds32
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001220.47
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze methyl (2S,4S,5R,6R)-5-[acetyl(benzyl)amino]-2-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4-phenylmethoxy-6-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]oxane-2-carboxylate 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

N-benzyl-N-[(3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 122386137
methyl (2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carboxylate
CID 10866031
[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 14332252
[(2S,3R,4S,5R,6R)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate
CID 10605858
[(2S,3R,4R,5S,6S,7R)-2-methoxy-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] acetate
CID 101497440
[(2S,3S,4S,5R,6R)-2-[[(2R,3R,4S,5S,6S)-6-[[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 25193340
methyl (2R,4R,5R)-2-[[(3S,4S,6S)-6-methoxy-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]methoxy]-4,5-dimethyl-6-[(2R,3R)-3-methylpentan-2-yl]oxane-2-carboxylate
CID 158577213
methyl (2S,4S,5R,6R)-4-acetyloxy-5-isothiocyanato-2-[(2R,3R,4S,5S,6R)-2-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate
CID 132917157
methyl (2R,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[[(2R,3S,4S,5R)-5-acetyloxy-6-fluoro-3,4-bis(phenylmethoxy)oxan-2-yl]methoxy]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate
CID 102299141
methyl (2S,4S,5R,6R)-4-acetyloxy-5-[(2-acetyloxyacetyl)amino]-2-[[(2R,3R,4S,5R,6S)-6-(4-methoxyphenoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate
CID 101469264
methyl 2-[[(3S,4S,6R)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
CID 126764300
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S,5R,6R)-5-[acetyl(benzyl)amino]-2-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4-phenylmethoxy-6-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]oxane-2-carboxylate?
The IUPAC name of methyl (2S,4S,5R,6R)-5-[acetyl(benzyl)amino]-2-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4-phenylmethoxy-6-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]oxane-2-carboxylate (CID 101468459) is methyl (2S,4S,5R,6R)-5-[acetyl(benzyl)amino]-2-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4-phenylmethoxy-6-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]oxane-2-carboxylate.
What is the SMILES notation for methyl (2S,4S,5R,6R)-5-[acetyl(benzyl)amino]-2-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4-phenylmethoxy-6-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]oxane-2-carboxylate?
The canonical SMILES for methyl (2S,4S,5R,6R)-5-[acetyl(benzyl)amino]-2-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4-phenylmethoxy-6-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]oxane-2-carboxylate is COC(=O)[C@]1(OC[C@H]2O[C@H](OC)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)C[C@H](OCc2ccccc2)[C@@H](N(Cc2ccccc2)C(C)=O)[C@H]([C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OCc2ccccc2)O1.
What is the InChIKey of methyl (2S,4S,5R,6R)-5-[acetyl(benzyl)amino]-2-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4-phenylmethoxy-6-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]oxane-2-carboxylate?
The InChIKey is CGUSXYQYOXBMQH-HQHPRKIQSA-N. The full InChI is InChI=1S/C75H81NO14/c1-55(77)76(45-56-28-12-4-13-29-56)67-64(82-47-58-32-16-6-17-33-58)44-75(74(78)80-3,90-70(67)68(84-49-60-36-20-8-21-37-60)65(83-48-59-34-18-7-19-35-59)53-81-46-57-30-14-5-15-31-57)88-54-66-69(85-50-61-38-22-9-23-39-61)71(86-51-62-40-24-10-25-41-62)72(73(79-2)89-66)87-52-63-42-26-11-27-43-63/h4-43,64-73H,44-54H2,1-3H3/t64-,65+,66+,67+,68+,69-,70+,71-,72+,73-,75-/m0/s1.
What are the key properties of methyl (2S,4S,5R,6R)-5-[acetyl(benzyl)amino]-2-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4-phenylmethoxy-6-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]oxane-2-carboxylate?
methyl (2S,4S,5R,6R)-5-[acetyl(benzyl)amino]-2-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4-phenylmethoxy-6-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]oxane-2-carboxylate has a molecular weight of 1220.47 g/mol, XLogP of 12.18, 32 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S,5R,6R)-5-[acetyl(benzyl)amino]-2-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4-phenylmethoxy-6-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]oxane-2-carboxylate is sourced from PubChem (CID 101468459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).