N-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide

C26H34N2O11 — CID 52941275

IUPACN-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
SMILESCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3ccc4ccccc4c3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C26H34N2O11/c1-12(31)27-19-21(33)23(17(11-30)38-25(19)36-2)39-26-22(34)18(20(32)16(10-29)37-26)28-24(35)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,16-23,25-26,29-30,32-34H,10-11H2,1-2H3,(H,27,31)(H,28,35)/t16-,17-,18+,19-,20+,21-,22-,23-,25-,26+/m1/s1
InChIKeyCYABHHRWQWJXOR-ZOGZNNMUSA-N
MW550.56 g/mol
LogP-2.01
Rot. Bonds8

About N-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide

N-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide (PubChem CID 52941275) has the molecular formula C26H34N2O11 and a molecular weight of 550.56 g/mol. Its IUPAC name is N-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
PubChem CID52941275
Molecular FormulaC26H34N2O11
Molecular Weight550.56 g/mol
Exact Mass550.22
IUPAC NameN-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
SMILESCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3ccc4ccccc4c3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C26H34N2O11/c1-12(31)27-19-21(33)23(17(11-30)38-25(19)36-2)39-26-22(34)18(20(32)16(10-29)37-26)28-24(35)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,16-23,25-26,29-30,32-34H,10-11H2,1-2H3,(H,27,31)(H,28,35)/t16-,17-,18+,19-,20+,21-,22-,23-,25-,26+/m1/s1
InChIKeyCYABHHRWQWJXOR-ZOGZNNMUSA-N
XLogP-2.01
TPSA196.27 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500550.56
LogP ≤ 5-2.01
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Analyze N-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide (CID 52941275) is N-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide is CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3ccc4ccccc4c3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O.
What is the InChIKey of N-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide?
The InChIKey is CYABHHRWQWJXOR-ZOGZNNMUSA-N. The full InChI is InChI=1S/C26H34N2O11/c1-12(31)27-19-21(33)23(17(11-30)38-25(19)36-2)39-26-22(34)18(20(32)16(10-29)37-26)28-24(35)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,16-23,25-26,29-30,32-34H,10-11H2,1-2H3,(H,27,31)(H,28,35)/t16-,17-,18+,19-,20+,21-,22-,23-,25-,26+/m1/s1.
What are the key properties of N-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide?
N-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide has a molecular weight of 550.56 g/mol, XLogP of -2.01, 8 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 52941275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).