3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]benzamide

C12H15NO5 — CID 46875500

IUPAC3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]benzamide
SMILESNC(=O)c1cccc(C2O[C@H](CO)[C@@H](O)[C@H]2O)c1
InChIInChI=1S/C12H15NO5/c13-12(17)7-3-1-2-6(4-7)11-10(16)9(15)8(5-14)18-11/h1-4,8-11,14-16H,5H2,(H2,13,17)/t8-,9-,10-,11?/m1/s1
InChIKeyWIYQAQIDVXSPMY-QHPFDFDXSA-N
MW253.25 g/mol
LogP-1.06
Rot. Bonds3

About 3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]benzamide

3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]benzamide (PubChem CID 46875500) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]benzamide.

Molecular Properties

Compound Name3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]benzamide
PubChem CID46875500
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]benzamide
SMILESNC(=O)c1cccc(C2O[C@H](CO)[C@@H](O)[C@H]2O)c1
InChIInChI=1S/C12H15NO5/c13-12(17)7-3-1-2-6(4-7)11-10(16)9(15)8(5-14)18-11/h1-4,8-11,14-16H,5H2,(H2,13,17)/t8-,9-,10-,11?/m1/s1
InChIKeyWIYQAQIDVXSPMY-QHPFDFDXSA-N
XLogP-1.06
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzoic acid
CID 123618289
1-[3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-[4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]ethanone
CID 158041125
4-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide
CID 91120633
2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-4-carboxamide
CID 14844021
2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-4-carboxamide
CID 14844023
(2R,3S,4R,5S)-2-(hydroxymethyl)-6-(3-hydroxyphenyl)oxane-3,4,5-triol
CID 71731174
2-(hydroxymethyl)-6-(3-methylphenyl)oxane-3,4,5-triol
CID 123471125
N-naphthalen-2-yl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
CID 78162415
(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723
3-[(2S,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]benzoic acid
CID 56973897
N-methyl-4-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]benzamide
CID 78162143
4-[5-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]thiophen-2-yl]benzamide
CID 66607236

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]benzamide?
The IUPAC name of 3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]benzamide (CID 46875500) is 3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]benzamide.
What is the SMILES notation for 3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]benzamide?
The canonical SMILES for 3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]benzamide is NC(=O)c1cccc(C2O[C@H](CO)[C@@H](O)[C@H]2O)c1.
What is the InChIKey of 3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]benzamide?
The InChIKey is WIYQAQIDVXSPMY-QHPFDFDXSA-N. The full InChI is InChI=1S/C12H15NO5/c13-12(17)7-3-1-2-6(4-7)11-10(16)9(15)8(5-14)18-11/h1-4,8-11,14-16H,5H2,(H2,13,17)/t8-,9-,10-,11?/m1/s1.
What are the key properties of 3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]benzamide?
3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]benzamide has a molecular weight of 253.25 g/mol, XLogP of -1.06, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]benzamide is sourced from PubChem (CID 46875500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).