N-[(2R,3R,4R,5S,6R)-5-hydroxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide

C49H55NO10 — CID 22875355

IUPACN-[(2R,3R,4R,5S,6R)-5-hydroxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C49H55NO10/c1-34-44(54-29-37-20-10-4-11-21-37)46(55-30-38-22-12-5-13-23-38)47(56-31-39-24-14-6-15-25-39)49(58-34)60-45-42(50-35(2)51)48(57-32-40-26-16-7-17-27-40)59-41(43(45)52)33-53-28-36-18-8-3-9-19-36/h3-27,34,41-49,52H,28-33H2,1-2H3,(H,50,51)/t34-,41+,42+,43+,44+,45+,46+,47-,48+,49-/m0/s1
InChIKeyRABHQLMJTCNNSL-KLUUBRAMSA-N
MW817.98 g/mol
LogP6.90
Rot. Bonds19

About N-[(2R,3R,4R,5S,6R)-5-hydroxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide

N-[(2R,3R,4R,5S,6R)-5-hydroxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide (PubChem CID 22875355) has the molecular formula C49H55NO10 and a molecular weight of 817.98 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S,6R)-5-hydroxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5S,6R)-5-hydroxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
PubChem CID22875355
Molecular FormulaC49H55NO10
Molecular Weight817.98 g/mol
Exact Mass817.38
IUPAC NameN-[(2R,3R,4R,5S,6R)-5-hydroxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C49H55NO10/c1-34-44(54-29-37-20-10-4-11-21-37)46(55-30-38-22-12-5-13-23-38)47(56-31-39-24-14-6-15-25-39)49(58-34)60-45-42(50-35(2)51)48(57-32-40-26-16-7-17-27-40)59-41(43(45)52)33-53-28-36-18-8-3-9-19-36/h3-27,34,41-49,52H,28-33H2,1-2H3,(H,50,51)/t34-,41+,42+,43+,44+,45+,46+,47-,48+,49-/m0/s1
InChIKeyRABHQLMJTCNNSL-KLUUBRAMSA-N
XLogP6.90
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.98
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[(2R,3R,4R,5S,6R)-5-hydroxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5S,6R)-5-hydroxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4R,5S,6R)-5-hydroxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide (CID 22875355) is N-[(2R,3R,4R,5S,6R)-5-hydroxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4R,5S,6R)-5-hydroxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4R,5S,6R)-5-hydroxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide is CC(=O)N[C@H]1[C@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of N-[(2R,3R,4R,5S,6R)-5-hydroxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The InChIKey is RABHQLMJTCNNSL-KLUUBRAMSA-N. The full InChI is InChI=1S/C49H55NO10/c1-34-44(54-29-37-20-10-4-11-21-37)46(55-30-38-22-12-5-13-23-38)47(56-31-39-24-14-6-15-25-39)49(58-34)60-45-42(50-35(2)51)48(57-32-40-26-16-7-17-27-40)59-41(43(45)52)33-53-28-36-18-8-3-9-19-36/h3-27,34,41-49,52H,28-33H2,1-2H3,(H,50,51)/t34-,41+,42+,43+,44+,45+,46+,47-,48+,49-/m0/s1.
What are the key properties of N-[(2R,3R,4R,5S,6R)-5-hydroxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
N-[(2R,3R,4R,5S,6R)-5-hydroxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide has a molecular weight of 817.98 g/mol, XLogP of 6.90, 19 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5S,6R)-5-hydroxy-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 22875355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).