N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide

C133H143NO28S — CID 134930909

IUPACN-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide
SMILESC[C@@H]1O[C@@H](O[C@@H]2[C@@H](NS(=O)(=O)c3ccccc3)[C@H](O[C@H]3[C@@H](O)[C@@H](COCc4ccccc4)O[C@@H](O[C@H]4[C@@H](OCc5ccccc5)C=CO[C@@H]4COCc4ccccc4)[C@@H]3O)O[C@H](COCc3ccccc3)[C@H]2O[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C133H143NO28S/c1-92-116(145-80-99-55-27-8-28-56-99)123(148-83-102-61-33-11-34-62-102)126(151-86-105-67-39-14-40-68-105)131(153-92)160-121-113(134-163(137,138)107-71-43-16-44-72-107)129(161-122-114(135)109(88-139-75-94-45-17-3-18-46-94)155-130(115(122)136)158-118-108(144-79-98-53-25-7-26-54-98)73-74-143-110(118)89-140-76-95-47-19-4-20-48-95)156-112(91-142-78-97-51-23-6-24-52-97)120(121)159-133-128(125(150-85-104-65-37-13-38-66-104)119(147-82-101-59-31-10-32-60-101)111(157-133)90-141-77-96-49-21-5-22-50-96)162-132-127(152-87-106-69-41-15-42-70-106)124(149-84-103-63-35-12-36-64-103)117(93(2)154-132)146-81-100-57-29-9-30-58-100/h3-74,92-93,108-136H,75-91H2,1-2H3/t92-,93-,108-,109+,110+,111+,112+,113+,114-,115+,116+,117+,118-,119-,120+,121+,122-,123+,124+,125-,126?,127-,128+,129-,130-,131-,132-,133-/m0/s1
InChIKeySRSSXVDBQRWWLK-UXPQADGLSA-N
MW2235.65 g/mol
LogP19.69
Rot. Bonds56

About N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide

N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide (PubChem CID 134930909) has the molecular formula C133H143NO28S and a molecular weight of 2235.65 g/mol. Its IUPAC name is N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide
PubChem CID134930909
Molecular FormulaC133H143NO28S
Molecular Weight2235.65 g/mol
Exact Mass2233.95
IUPAC NameN-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide
SMILESC[C@@H]1O[C@@H](O[C@@H]2[C@@H](NS(=O)(=O)c3ccccc3)[C@H](O[C@H]3[C@@H](O)[C@@H](COCc4ccccc4)O[C@@H](O[C@H]4[C@@H](OCc5ccccc5)C=CO[C@@H]4COCc4ccccc4)[C@@H]3O)O[C@H](COCc3ccccc3)[C@H]2O[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C133H143NO28S/c1-92-116(145-80-99-55-27-8-28-56-99)123(148-83-102-61-33-11-34-62-102)126(151-86-105-67-39-14-40-68-105)131(153-92)160-121-113(134-163(137,138)107-71-43-16-44-72-107)129(161-122-114(135)109(88-139-75-94-45-17-3-18-46-94)155-130(115(122)136)158-118-108(144-79-98-53-25-7-26-54-98)73-74-143-110(118)89-140-76-95-47-19-4-20-48-95)156-112(91-142-78-97-51-23-6-24-52-97)120(121)159-133-128(125(150-85-104-65-37-13-38-66-104)119(147-82-101-59-31-10-32-60-101)111(157-133)90-141-77-96-49-21-5-22-50-96)162-132-127(152-87-106-69-41-15-42-70-106)124(149-84-103-63-35-12-36-64-103)117(93(2)154-132)146-81-100-57-29-9-30-58-100/h3-74,92-93,108-136H,75-91H2,1-2H3/t92-,93-,108-,109+,110+,111+,112+,113+,114-,115+,116+,117+,118-,119-,120+,121+,122-,123+,124+,125-,126?,127-,128+,129-,130-,131-,132-,133-/m0/s1
InChIKeySRSSXVDBQRWWLK-UXPQADGLSA-N
XLogP19.69
TPSA308.15 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds56
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002235.65
LogP ≤ 519.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide?
The IUPAC name of N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide (CID 134930909) is N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide?
The canonical SMILES for N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide is C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NS(=O)(=O)c3ccccc3)[C@H](O[C@H]3[C@@H](O)[C@@H](COCc4ccccc4)O[C@@H](O[C@H]4[C@@H](OCc5ccccc5)C=CO[C@@H]4COCc4ccccc4)[C@@H]3O)O[C@H](COCc3ccccc3)[C@H]2O[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide?
The InChIKey is SRSSXVDBQRWWLK-UXPQADGLSA-N. The full InChI is InChI=1S/C133H143NO28S/c1-92-116(145-80-99-55-27-8-28-56-99)123(148-83-102-61-33-11-34-62-102)126(151-86-105-67-39-14-40-68-105)131(153-92)160-121-113(134-163(137,138)107-71-43-16-44-72-107)129(161-122-114(135)109(88-139-75-94-45-17-3-18-46-94)155-130(115(122)136)158-118-108(144-79-98-53-25-7-26-54-98)73-74-143-110(118)89-140-76-95-47-19-4-20-48-95)156-112(91-142-78-97-51-23-6-24-52-97)120(121)159-133-128(125(150-85-104-65-37-13-38-66-104)119(147-82-101-59-31-10-32-60-101)111(157-133)90-141-77-96-49-21-5-22-50-96)162-132-127(152-87-106-69-41-15-42-70-106)124(149-84-103-63-35-12-36-64-103)117(93(2)154-132)146-81-100-57-29-9-30-58-100/h3-74,92-93,108-136H,75-91H2,1-2H3/t92-,93-,108-,109+,110+,111+,112+,113+,114-,115+,116+,117+,118-,119-,120+,121+,122-,123+,124+,125-,126?,127-,128+,129-,130-,131-,132-,133-/m0/s1.
What are the key properties of N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide?
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide has a molecular weight of 2235.65 g/mol, XLogP of 19.69, 56 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-4-yl]oxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide is sourced from PubChem (CID 134930909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).