N-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetamide

C8H15NO6 — CID 101259526

IUPACN-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetamide
SMILESCC(=O)N[C@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1O
InChIInChI=1S/C8H15NO6/c1-3(11)9-8-6(14)5(13)7(15-8)4(12)2-10/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m1/s1
InChIKeyZGFGLQFUYZUPTD-PVFLNQBWSA-N
MW221.21 g/mol
LogP-3.08
Rot. Bonds3

About N-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetamide

N-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetamide (PubChem CID 101259526) has the molecular formula C8H15NO6 and a molecular weight of 221.21 g/mol. Its IUPAC name is N-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetamide
PubChem CID101259526
Molecular FormulaC8H15NO6
Molecular Weight221.21 g/mol
Exact Mass221.09
IUPAC NameN-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetamide
SMILESCC(=O)N[C@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1O
InChIInChI=1S/C8H15NO6/c1-3(11)9-8-6(14)5(13)7(15-8)4(12)2-10/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m1/s1
InChIKeyZGFGLQFUYZUPTD-PVFLNQBWSA-N
XLogP-3.08
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 5-3.08
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,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetamide?
The IUPAC name of N-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetamide (CID 101259526) is N-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetamide is CC(=O)N[C@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1O.
What is the InChIKey of N-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetamide?
The InChIKey is ZGFGLQFUYZUPTD-PVFLNQBWSA-N. The full InChI is InChI=1S/C8H15NO6/c1-3(11)9-8-6(14)5(13)7(15-8)4(12)2-10/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m1/s1.
What are the key properties of N-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetamide?
N-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetamide has a molecular weight of 221.21 g/mol, XLogP of -3.08, 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,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetamide is sourced from PubChem (CID 101259526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).