N-[(2S,3R,4R,5R,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide

C58H64N2O10 — CID 134931520

IUPACN-[(2S,3R,4R,5R,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@H]1[C@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1NC(C)=O
InChIInChI=1S/C58H64N2O10/c1-41(61)59-51-55(67-37-47-29-17-7-18-30-47)53(65-35-45-25-13-5-14-26-45)49(39-63-33-43-21-9-3-10-22-43)69-57(51)58-52(60-42(2)62)56(68-38-48-31-19-8-20-32-48)54(66-36-46-27-15-6-16-28-46)50(70-58)40-64-34-44-23-11-4-12-24-44/h3-32,49-58H,33-40H2,1-2H3,(H,59,61)(H,60,62)/t49-,50-,51-,52?,53+,54+,55-,56-,57+,58+/m1/s1
InChIKeyKQCKAGWUDYYBCS-QWFKNFJDSA-N
MW949.15 g/mol
LogP8.31
Rot. Bonds23

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

N-[(2S,3R,4R,5R,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide (PubChem CID 134931520) has the molecular formula C58H64N2O10 and a molecular weight of 949.15 g/mol. Its IUPAC name is N-[(2S,3R,4R,5R,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5R,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
PubChem CID134931520
Molecular FormulaC58H64N2O10
Molecular Weight949.15 g/mol
Exact Mass948.46
IUPAC NameN-[(2S,3R,4R,5R,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@H]1[C@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1NC(C)=O
InChIInChI=1S/C58H64N2O10/c1-41(61)59-51-55(67-37-47-29-17-7-18-30-47)53(65-35-45-25-13-5-14-26-45)49(39-63-33-43-21-9-3-10-22-43)69-57(51)58-52(60-42(2)62)56(68-38-48-31-19-8-20-32-48)54(66-36-46-27-15-6-16-28-46)50(70-58)40-64-34-44-23-11-4-12-24-44/h3-32,49-58H,33-40H2,1-2H3,(H,59,61)(H,60,62)/t49-,50-,51-,52?,53+,54+,55-,56-,57+,58+/m1/s1
InChIKeyKQCKAGWUDYYBCS-QWFKNFJDSA-N
XLogP8.31
TPSA132.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.15
LogP ≤ 58.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5R,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3R,4R,5R,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide (CID 134931520) is N-[(2S,3R,4R,5R,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4R,5R,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4R,5R,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide is CC(=O)NC1[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@H]1[C@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1NC(C)=O.
What is the InChIKey of N-[(2S,3R,4R,5R,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The InChIKey is KQCKAGWUDYYBCS-QWFKNFJDSA-N. The full InChI is InChI=1S/C58H64N2O10/c1-41(61)59-51-55(67-37-47-29-17-7-18-30-47)53(65-35-45-25-13-5-14-26-45)49(39-63-33-43-21-9-3-10-22-43)69-57(51)58-52(60-42(2)62)56(68-38-48-31-19-8-20-32-48)54(66-36-46-27-15-6-16-28-46)50(70-58)40-64-34-44-23-11-4-12-24-44/h3-32,49-58H,33-40H2,1-2H3,(H,59,61)(H,60,62)/t49-,50-,51-,52?,53+,54+,55-,56-,57+,58+/m1/s1.
What are the key properties of N-[(2S,3R,4R,5R,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
N-[(2S,3R,4R,5R,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide has a molecular weight of 949.15 g/mol, XLogP of 8.31, 23 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4R,5R,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 134931520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).