N-[(2S,3R,4R,5S)-4-acetyl-4-hydroxy-2-(1-hydroxy-2-oxopropyl)-5-methoxyoxolan-3-yl]acetamide

C12H19NO7 — CID 67770500

IUPACN-[(2S,3R,4R,5S)-4-acetyl-4-hydroxy-2-(1-hydroxy-2-oxopropyl)-5-methoxyoxolan-3-yl]acetamide
SMILESCO[C@H]1O[C@H](C(O)C(C)=O)[C@@H](NC(C)=O)[C@]1(O)C(C)=O
InChIInChI=1S/C12H19NO7/c1-5(14)8(17)9-10(13-7(3)16)12(18,6(2)15)11(19-4)20-9/h8-11,17-18H,1-4H3,(H,13,16)/t8?,9-,10-,11+,12-/m1/s1
InChIKeyGXPZYZMPVMMURJ-IPDPYQKTSA-N
MW289.28 g/mol
LogP-1.87
Rot. Bonds5

About N-[(2S,3R,4R,5S)-4-acetyl-4-hydroxy-2-(1-hydroxy-2-oxopropyl)-5-methoxyoxolan-3-yl]acetamide

N-[(2S,3R,4R,5S)-4-acetyl-4-hydroxy-2-(1-hydroxy-2-oxopropyl)-5-methoxyoxolan-3-yl]acetamide (PubChem CID 67770500) has the molecular formula C12H19NO7 and a molecular weight of 289.28 g/mol. Its IUPAC name is N-[(2S,3R,4R,5S)-4-acetyl-4-hydroxy-2-(1-hydroxy-2-oxopropyl)-5-methoxyoxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5S)-4-acetyl-4-hydroxy-2-(1-hydroxy-2-oxopropyl)-5-methoxyoxolan-3-yl]acetamide
PubChem CID67770500
Molecular FormulaC12H19NO7
Molecular Weight289.28 g/mol
Exact Mass289.12
IUPAC NameN-[(2S,3R,4R,5S)-4-acetyl-4-hydroxy-2-(1-hydroxy-2-oxopropyl)-5-methoxyoxolan-3-yl]acetamide
SMILESCO[C@H]1O[C@H](C(O)C(C)=O)[C@@H](NC(C)=O)[C@]1(O)C(C)=O
InChIInChI=1S/C12H19NO7/c1-5(14)8(17)9-10(13-7(3)16)12(18,6(2)15)11(19-4)20-9/h8-11,17-18H,1-4H3,(H,13,16)/t8?,9-,10-,11+,12-/m1/s1
InChIKeyGXPZYZMPVMMURJ-IPDPYQKTSA-N
XLogP-1.87
TPSA122.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5S)-4-acetyl-4-hydroxy-2-(1-hydroxy-2-oxopropyl)-5-methoxyoxolan-3-yl]acetamide?
The IUPAC name of N-[(2S,3R,4R,5S)-4-acetyl-4-hydroxy-2-(1-hydroxy-2-oxopropyl)-5-methoxyoxolan-3-yl]acetamide (CID 67770500) is N-[(2S,3R,4R,5S)-4-acetyl-4-hydroxy-2-(1-hydroxy-2-oxopropyl)-5-methoxyoxolan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4R,5S)-4-acetyl-4-hydroxy-2-(1-hydroxy-2-oxopropyl)-5-methoxyoxolan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4R,5S)-4-acetyl-4-hydroxy-2-(1-hydroxy-2-oxopropyl)-5-methoxyoxolan-3-yl]acetamide is CO[C@H]1O[C@H](C(O)C(C)=O)[C@@H](NC(C)=O)[C@]1(O)C(C)=O.
What is the InChIKey of N-[(2S,3R,4R,5S)-4-acetyl-4-hydroxy-2-(1-hydroxy-2-oxopropyl)-5-methoxyoxolan-3-yl]acetamide?
The InChIKey is GXPZYZMPVMMURJ-IPDPYQKTSA-N. The full InChI is InChI=1S/C12H19NO7/c1-5(14)8(17)9-10(13-7(3)16)12(18,6(2)15)11(19-4)20-9/h8-11,17-18H,1-4H3,(H,13,16)/t8?,9-,10-,11+,12-/m1/s1.
What are the key properties of N-[(2S,3R,4R,5S)-4-acetyl-4-hydroxy-2-(1-hydroxy-2-oxopropyl)-5-methoxyoxolan-3-yl]acetamide?
N-[(2S,3R,4R,5S)-4-acetyl-4-hydroxy-2-(1-hydroxy-2-oxopropyl)-5-methoxyoxolan-3-yl]acetamide has a molecular weight of 289.28 g/mol, XLogP of -1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4R,5S)-4-acetyl-4-hydroxy-2-(1-hydroxy-2-oxopropyl)-5-methoxyoxolan-3-yl]acetamide is sourced from PubChem (CID 67770500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).