[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[2-[(4-methoxyphenyl)methoxymethyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)propoxy]-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate

C83H97NO23 — CID 101272507

IUPAC[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[2-[(4-methoxyphenyl)methoxymethyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)propoxy]-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
SMILESCOc1ccc(COCC(COCc2ccccc2)(COCc2ccccc2)CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H](O[C@@H]3O[C@@H](C)[C@@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H]3OCc3ccccc3)[C@H]2NC(C)=O)cc1
InChIInChI=1S/C83H97NO23/c1-55-72(96-46-64-32-20-11-21-33-64)76(97-47-65-34-22-12-23-35-65)78(98-48-66-36-24-13-25-37-66)81(100-55)107-75-71(84-56(2)85)80(99-54-83(51-92-43-62-28-16-9-17-29-62,52-93-44-63-30-18-10-19-31-63)53-94-45-67-38-40-68(90-7)41-39-67)104-69(49-91-42-61-26-14-8-15-27-61)73(75)106-82-79(103-60(6)89)77(102-59(5)88)74(101-58(4)87)70(105-82)50-95-57(3)86/h8-41,55,69-82H,42-54H2,1-7H3,(H,84,85)/t55-,69+,70+,71+,72+,73+,74-,75+,76+,77-,78-,79+,80+,81-,82-/m0/s1
InChIKeyKSQOETOEMDOYHH-HVBCEYSESA-N
MW1476.67 g/mol
LogP10.45
Rot. Bonds39

About [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[2-[(4-methoxyphenyl)methoxymethyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)propoxy]-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate

[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[2-[(4-methoxyphenyl)methoxymethyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)propoxy]-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate (PubChem CID 101272507) has the molecular formula C83H97NO23 and a molecular weight of 1476.67 g/mol. Its IUPAC name is [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[2-[(4-methoxyphenyl)methoxymethyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)propoxy]-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[2-[(4-methoxyphenyl)methoxymethyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)propoxy]-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
PubChem CID101272507
Molecular FormulaC83H97NO23
Molecular Weight1476.67 g/mol
Exact Mass1475.65
IUPAC Name[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[2-[(4-methoxyphenyl)methoxymethyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)propoxy]-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
SMILESCOc1ccc(COCC(COCc2ccccc2)(COCc2ccccc2)CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H](O[C@@H]3O[C@@H](C)[C@@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H]3OCc3ccccc3)[C@H]2NC(C)=O)cc1
InChIInChI=1S/C83H97NO23/c1-55-72(96-46-64-32-20-11-21-33-64)76(97-47-65-34-22-12-23-35-65)78(98-48-66-36-24-13-25-37-66)81(100-55)107-75-71(84-56(2)85)80(99-54-83(51-92-43-62-28-16-9-17-29-62,52-93-44-63-30-18-10-19-31-63)53-94-45-67-38-40-68(90-7)41-39-67)104-69(49-91-42-61-26-14-8-15-27-61)73(75)106-82-79(103-60(6)89)77(102-59(5)88)74(101-58(4)87)70(105-82)50-95-57(3)86/h8-41,55,69-82H,42-54H2,1-7H3,(H,84,85)/t55-,69+,70+,71+,72+,73+,74-,75+,76+,77-,78-,79+,80+,81-,82-/m0/s1
InChIKeyKSQOETOEMDOYHH-HVBCEYSESA-N
XLogP10.45
TPSA263.52 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds39
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001476.67
LogP ≤ 510.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[2-[(4-methoxyphenyl)methoxymethyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)propoxy]-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate 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

[6-[5-acetamido-4-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
CID 162932278
[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-methoxy-2-(phenylmethoxymethyl)-4-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
CID 44518577
[(3R,4S,6S)-4,5-diacetyloxy-6-[(3R,4R,6S)-6-methyl-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-[(2S,4S,5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 90079092
[(2S,3R,4R,5R,6S)-3-acetamido-5-[(2S,3R,4S,5R,6R)-3-[(2S,3S,4S,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl] acetate
CID 163018648
[4-[3-acetamido-5-[4-[3-acetamido-4-phenylmethoxy-6-(phenylmethoxymethyl)-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-[5-acetamido-6-[3,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,5-diacetyloxyoxan-2-yl]methyl acetate
CID 177416555
[(2S,3S,4R,5R)-6-[(2R,3S,4R,5R,6S)-5-acetamido-3-acetyloxy-2-(acetyloxymethyl)-6-phenylmethoxyoxan-4-yl]oxy-4,5-bis[(2-deuterioacetyl)oxy]-2-methyloxan-3-yl] 2-deuterioacetate
CID 137350435
[(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-(6-azidohexoxy)-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,5-diacetyloxyoxan-2-yl]methyl 2,2-dimethylpropanoate
CID 122394304
[(2S,3S,4R,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-3-yl]oxy-4,5-dibenzoyloxy-2-methyloxan-3-yl] benzoate
CID 15173467
[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-acetamido-2-(acetyloxymethyl)-6-(cyanomethylsulfanyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-tris[(4-methoxyphenyl)methoxy]-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
CID 118306700
[(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-5-acetamido-2-[[(2R,3R,4R,5S,6R)-3-acetamido-4-acetyloxy-5-[(2S,3S,4S,5S,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-fluorooxan-2-yl]oxy-6-(naphthalen-2-ylmethoxymethyl)oxan-2-yl]oxymethyl]-3-acetyloxy-6-phenylmethoxyoxan-4-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
CID 11521038
[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[(2R,3R,4S,5R,6R)-6-hydroxy-2-[(4-methoxyphenyl)methoxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methyl acetate
CID 171122306
[(2R,3S,4S,5R,6R)-3-acetyloxy-6-[(2R,3S,4S,5R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 11858571

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[2-[(4-methoxyphenyl)methoxymethyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)propoxy]-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[2-[(4-methoxyphenyl)methoxymethyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)propoxy]-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate (CID 101272507) is [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[2-[(4-methoxyphenyl)methoxymethyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)propoxy]-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[2-[(4-methoxyphenyl)methoxymethyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)propoxy]-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[2-[(4-methoxyphenyl)methoxymethyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)propoxy]-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate is COc1ccc(COCC(COCc2ccccc2)(COCc2ccccc2)CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H](O[C@@H]3O[C@@H](C)[C@@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H]3OCc3ccccc3)[C@H]2NC(C)=O)cc1.
What is the InChIKey of [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[2-[(4-methoxyphenyl)methoxymethyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)propoxy]-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate?
The InChIKey is KSQOETOEMDOYHH-HVBCEYSESA-N. The full InChI is InChI=1S/C83H97NO23/c1-55-72(96-46-64-32-20-11-21-33-64)76(97-47-65-34-22-12-23-35-65)78(98-48-66-36-24-13-25-37-66)81(100-55)107-75-71(84-56(2)85)80(99-54-83(51-92-43-62-28-16-9-17-29-62,52-93-44-63-30-18-10-19-31-63)53-94-45-67-38-40-68(90-7)41-39-67)104-69(49-91-42-61-26-14-8-15-27-61)73(75)106-82-79(103-60(6)89)77(102-59(5)88)74(101-58(4)87)70(105-82)50-95-57(3)86/h8-41,55,69-82H,42-54H2,1-7H3,(H,84,85)/t55-,69+,70+,71+,72+,73+,74-,75+,76+,77-,78-,79+,80+,81-,82-/m0/s1.
What are the key properties of [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[2-[(4-methoxyphenyl)methoxymethyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)propoxy]-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate?
[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[2-[(4-methoxyphenyl)methoxymethyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)propoxy]-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate has a molecular weight of 1476.67 g/mol, XLogP of 10.45, 39 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[2-[(4-methoxyphenyl)methoxymethyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)propoxy]-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 101272507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).