N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-2-carboxamide

C17H19NO6 — CID 44579270

IUPACN-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-2-carboxamide
SMILESO=C(N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO6/c19-8-12-13(20)14(21)15(22)17(24-12)18-16(23)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,17,19-22H,8H2,(H,18,23)/t12-,13-,14+,15-,17-/m1/s1
InChIKeyFANYWVRVEKFHBJ-OWVAZHOYSA-N
MW333.34 g/mol
LogP-0.63
Rot. Bonds3

About N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-2-carboxamide

N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-2-carboxamide (PubChem CID 44579270) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-2-carboxamide
PubChem CID44579270
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC NameN-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-2-carboxamide
SMILESO=C(N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO6/c19-8-12-13(20)14(21)15(22)17(24-12)18-16(23)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,17,19-22H,8H2,(H,18,23)/t12-,13-,14+,15-,17-/m1/s1
InChIKeyFANYWVRVEKFHBJ-OWVAZHOYSA-N
XLogP-0.63
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 5-0.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-2-carboxamide (CID 44579270) is N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-2-carboxamide is O=C(N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-2-carboxamide?
The InChIKey is FANYWVRVEKFHBJ-OWVAZHOYSA-N. The full InChI is InChI=1S/C17H19NO6/c19-8-12-13(20)14(21)15(22)17(24-12)18-16(23)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,17,19-22H,8H2,(H,18,23)/t12-,13-,14+,15-,17-/m1/s1.
What are the key properties of N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-2-carboxamide?
N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-2-carboxamide has a molecular weight of 333.34 g/mol, XLogP of -0.63, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 44579270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).