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

C13H17NO6 — CID 10423941

IUPACN-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
SMILESO=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)c1ccccc1
InChIInChI=1S/C13H17NO6/c15-6-8-10(16)11(17)9(13(19)20-8)14-12(18)7-4-2-1-3-5-7/h1-5,8-11,13,15-17,19H,6H2,(H,14,18)/t8-,9-,10-,11-,13+/m1/s1
InChIKeyVSGKVJPCJOJUBP-CJJWORHMSA-N
MW283.28 g/mol
LogP-1.78
Rot. Bonds3

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

N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide (PubChem CID 10423941) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
PubChem CID10423941
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC NameN-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
SMILESO=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)c1ccccc1
InChIInChI=1S/C13H17NO6/c15-6-8-10(16)11(17)9(13(19)20-8)14-12(18)7-4-2-1-3-5-7/h1-5,8-11,13,15-17,19H,6H2,(H,14,18)/t8-,9-,10-,11-,13+/m1/s1
InChIKeyVSGKVJPCJOJUBP-CJJWORHMSA-N
XLogP-1.78
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-1.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide?
The IUPAC name of N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide (CID 10423941) is N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide.
What is the SMILES notation for N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide?
The canonical SMILES for N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide is O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)c1ccccc1.
What is the InChIKey of N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide?
The InChIKey is VSGKVJPCJOJUBP-CJJWORHMSA-N. The full InChI is InChI=1S/C13H17NO6/c15-6-8-10(16)11(17)9(13(19)20-8)14-12(18)7-4-2-1-3-5-7/h1-5,8-11,13,15-17,19H,6H2,(H,14,18)/t8-,9-,10-,11-,13+/m1/s1.
What are the key properties of N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide?
N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide has a molecular weight of 283.28 g/mol, XLogP of -1.78, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide is sourced from PubChem (CID 10423941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).