(2R)-N-[(2R,3R,4S,5R,6S)-4-fluoro-5,6-dimethoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide

C12H22FNO6 — CID 101128016

IUPAC(2R)-N-[(2R,3R,4S,5R,6S)-4-fluoro-5,6-dimethoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide
SMILESCO[C@H]1O[C@H](C)[C@@H](NC(=O)[C@H](O)CCO)[C@H](F)[C@@H]1OC
InChIInChI=1S/C12H22FNO6/c1-6-9(14-11(17)7(16)4-5-15)8(13)10(18-2)12(19-3)20-6/h6-10,12,15-16H,4-5H2,1-3H3,(H,14,17)/t6-,7-,8+,9-,10+,12+/m1/s1
InChIKeyRNPSKHUETSEVSZ-DWOGUGJQSA-N
MW295.31 g/mol
LogP-1.04
Rot. Bonds6

About (2R)-N-[(2R,3R,4S,5R,6S)-4-fluoro-5,6-dimethoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide

(2R)-N-[(2R,3R,4S,5R,6S)-4-fluoro-5,6-dimethoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide (PubChem CID 101128016) has the molecular formula C12H22FNO6 and a molecular weight of 295.31 g/mol. Its IUPAC name is (2R)-N-[(2R,3R,4S,5R,6S)-4-fluoro-5,6-dimethoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide.

Molecular Properties

Compound Name(2R)-N-[(2R,3R,4S,5R,6S)-4-fluoro-5,6-dimethoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide
PubChem CID101128016
Molecular FormulaC12H22FNO6
Molecular Weight295.31 g/mol
Exact Mass295.14
IUPAC Name(2R)-N-[(2R,3R,4S,5R,6S)-4-fluoro-5,6-dimethoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide
SMILESCO[C@H]1O[C@H](C)[C@@H](NC(=O)[C@H](O)CCO)[C@H](F)[C@@H]1OC
InChIInChI=1S/C12H22FNO6/c1-6-9(14-11(17)7(16)4-5-15)8(13)10(18-2)12(19-3)20-6/h6-10,12,15-16H,4-5H2,1-3H3,(H,14,17)/t6-,7-,8+,9-,10+,12+/m1/s1
InChIKeyRNPSKHUETSEVSZ-DWOGUGJQSA-N
XLogP-1.04
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[(2R,3R,4S,5R,6S)-4-fluoro-5,6-dimethoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R,3R,4S,5R,6S)-4-fluoro-5,6-dimethoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide?
The IUPAC name of (2R)-N-[(2R,3R,4S,5R,6S)-4-fluoro-5,6-dimethoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide (CID 101128016) is (2R)-N-[(2R,3R,4S,5R,6S)-4-fluoro-5,6-dimethoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide.
What is the SMILES notation for (2R)-N-[(2R,3R,4S,5R,6S)-4-fluoro-5,6-dimethoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide?
The canonical SMILES for (2R)-N-[(2R,3R,4S,5R,6S)-4-fluoro-5,6-dimethoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide is CO[C@H]1O[C@H](C)[C@@H](NC(=O)[C@H](O)CCO)[C@H](F)[C@@H]1OC.
What is the InChIKey of (2R)-N-[(2R,3R,4S,5R,6S)-4-fluoro-5,6-dimethoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide?
The InChIKey is RNPSKHUETSEVSZ-DWOGUGJQSA-N. The full InChI is InChI=1S/C12H22FNO6/c1-6-9(14-11(17)7(16)4-5-15)8(13)10(18-2)12(19-3)20-6/h6-10,12,15-16H,4-5H2,1-3H3,(H,14,17)/t6-,7-,8+,9-,10+,12+/m1/s1.
What are the key properties of (2R)-N-[(2R,3R,4S,5R,6S)-4-fluoro-5,6-dimethoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide?
(2R)-N-[(2R,3R,4S,5R,6S)-4-fluoro-5,6-dimethoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide has a molecular weight of 295.31 g/mol, XLogP of -1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R,3R,4S,5R,6S)-4-fluoro-5,6-dimethoxy-2-methyloxan-3-yl]-2,4-dihydroxybutanamide is sourced from PubChem (CID 101128016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).