N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide

C62H67NO13S — CID 10724837

IUPACN-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide
SMILESCOc1ccc(CO[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OC)O[C@@H]2CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C62H67NO13S/c1-66-51-35-33-50(34-36-51)42-70-57-54(76-62(67-2)60(73-41-49-29-17-7-18-30-49)59(57)72-40-48-27-15-6-16-28-48)44-74-61-55(63-77(64,65)52-31-19-8-20-32-52)58(71-39-47-25-13-5-14-26-47)56(69-38-46-23-11-4-12-24-46)53(75-61)43-68-37-45-21-9-3-10-22-45/h3-36,53-63H,37-44H2,1-2H3/t53-,54-,55-,56-,57-,58-,59+,60-,61-,62-/m1/s1
InChIKeyKHPDBOZGVQVDKQ-MSMMYQIGSA-N
MW1066.28 g/mol
LogP9.60
Rot. Bonds27

About N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide

N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide (PubChem CID 10724837) has the molecular formula C62H67NO13S and a molecular weight of 1066.28 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide
PubChem CID10724837
Molecular FormulaC62H67NO13S
Molecular Weight1066.28 g/mol
Exact Mass1065.43
IUPAC NameN-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide
SMILESCOc1ccc(CO[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OC)O[C@@H]2CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C62H67NO13S/c1-66-51-35-33-50(34-36-51)42-70-57-54(76-62(67-2)60(73-41-49-29-17-7-18-30-49)59(57)72-40-48-27-15-6-16-28-48)44-74-61-55(63-77(64,65)52-31-19-8-20-32-52)58(71-39-47-25-13-5-14-26-47)56(69-38-46-23-11-4-12-24-46)53(75-61)43-68-37-45-21-9-3-10-22-45/h3-36,53-63H,37-44H2,1-2H3/t53-,54-,55-,56-,57-,58-,59+,60-,61-,62-/m1/s1
InChIKeyKHPDBOZGVQVDKQ-MSMMYQIGSA-N
XLogP9.60
TPSA147.70 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds27
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001066.28
LogP ≤ 59.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane
CID 10887663
(2S,3S,4R,5R)-2-methoxy-5-[(4-methoxyphenyl)methoxymethyl]-3-[(2S,3S,4R,5R)-5-[(4-methoxyphenyl)methoxymethyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]oxy-4-phenylmethoxyoxolane
CID 46895701
(2S,3S,4S,5R,6R)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 101466652
(2S,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 100914116
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6S)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-yl]oxy-3,4-bis[(4-methoxyphenyl)methoxy]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 100969790
[(2R,3R,4S,5S)-5-[(2S,3S,4R,5R)-2-methoxy-5-[(4-methoxyphenyl)methoxymethyl]-4-phenylmethoxyoxolan-3-yl]oxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 46895944
[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl N-[(2R,3R,4S,5R,6R)-6-[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]carbamate
CID 101408323
(2S,3R,4R,5R)-2,3-dimethoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 59796294
(2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-4-hydroxy-3-[(2R,3S,4S,5R)-3-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]-4-phenylmethoxyoxolan-2-yl]oxy-5-methoxyoxolan-2-yl]methoxy]-5-[(4-methoxyphenyl)methoxymethyl]-4-phenylmethoxyoxolan-3-ol
CID 102415998
(2R,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 101487337
[(2R,3R,4S,5R,6R)-6-methoxy-5-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 101103346

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide?
The IUPAC name of N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide (CID 10724837) is N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide?
The canonical SMILES for N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide is COc1ccc(CO[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OC)O[C@@H]2CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide?
The InChIKey is KHPDBOZGVQVDKQ-MSMMYQIGSA-N. The full InChI is InChI=1S/C62H67NO13S/c1-66-51-35-33-50(34-36-51)42-70-57-54(76-62(67-2)60(73-41-49-29-17-7-18-30-49)59(57)72-40-48-27-15-6-16-28-48)44-74-61-55(63-77(64,65)52-31-19-8-20-32-52)58(71-39-47-25-13-5-14-26-47)56(69-38-46-23-11-4-12-24-46)53(75-61)43-68-37-45-21-9-3-10-22-45/h3-36,53-63H,37-44H2,1-2H3/t53-,54-,55-,56-,57-,58-,59+,60-,61-,62-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide?
N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide has a molecular weight of 1066.28 g/mol, XLogP of 9.60, 27 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide is sourced from PubChem (CID 10724837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).