5-acetamido-4-hydroxy-3-propan-2-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

C14H25NO8 — CID 172546768

IUPAC5-acetamido-4-hydroxy-3-propan-2-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILESCC(=O)NC1C(O)C(C(C)C)C(C(=O)O)OC1[C@H](O)[C@H](O)CO
InChIInChI=1S/C14H25NO8/c1-5(2)8-11(20)9(15-6(3)17)13(10(19)7(18)4-16)23-12(8)14(21)22/h5,7-13,16,18-20H,4H2,1-3H3,(H,15,17)(H,21,22)/t7-,8?,9?,10-,11?,12?,13?/m1/s1
InChIKeyQGIPWTJLZJNHBX-FLXBVJFISA-N
MW335.35 g/mol
LogP-2.31
Rot. Bonds6

About 5-acetamido-4-hydroxy-3-propan-2-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

5-acetamido-4-hydroxy-3-propan-2-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (PubChem CID 172546768) has the molecular formula C14H25NO8 and a molecular weight of 335.35 g/mol. Its IUPAC name is 5-acetamido-4-hydroxy-3-propan-2-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.

Molecular Properties

Compound Name5-acetamido-4-hydroxy-3-propan-2-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
PubChem CID172546768
Molecular FormulaC14H25NO8
Molecular Weight335.35 g/mol
Exact Mass335.16
IUPAC Name5-acetamido-4-hydroxy-3-propan-2-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILESCC(=O)NC1C(O)C(C(C)C)C(C(=O)O)OC1[C@H](O)[C@H](O)CO
InChIInChI=1S/C14H25NO8/c1-5(2)8-11(20)9(15-6(3)17)13(10(19)7(18)4-16)23-12(8)14(21)22/h5,7-13,16,18-20H,4H2,1-3H3,(H,15,17)(H,21,22)/t7-,8?,9?,10-,11?,12?,13?/m1/s1
InChIKeyQGIPWTJLZJNHBX-FLXBVJFISA-N
XLogP-2.31
TPSA156.55 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.35
LogP ≤ 5-2.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 5-acetamido-4-hydroxy-3-propan-2-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-acetamido-4,5-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 71122588
N-[(2R,3R,4S,6S)-4,6-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide
CID 156618959
(2R,3R,4R,5R,6R)-5-acetamido-3,4-dihydroxy-2-(2-oxoethoxy)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 10690306
(2S,3S,4R,5R,6R)-5-acetamido-3-fluoro-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 14101566
(2R,4S,5R,6R)-5-acetamido-3-(1-aminopropyl)-2,4-dihydroxy-6-[(2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 139783846
(2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 101081623
methyl (2S,3S,4R,5R,6R)-5-acetamido-2,3-dibromo-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
CID 134937101
(5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 122374560
(2R,5R)-5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 102004932
(2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl](313C)oxane-2-carboxylic acid
CID 102405722
(2S,4R,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 42553514
(2S,4S,5R,6R)-5-(acetyl(15N)amino)-2,4-dihydroxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 169432696

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-4-hydroxy-3-propan-2-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The IUPAC name of 5-acetamido-4-hydroxy-3-propan-2-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CID 172546768) is 5-acetamido-4-hydroxy-3-propan-2-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.
What is the SMILES notation for 5-acetamido-4-hydroxy-3-propan-2-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The canonical SMILES for 5-acetamido-4-hydroxy-3-propan-2-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is CC(=O)NC1C(O)C(C(C)C)C(C(=O)O)OC1[C@H](O)[C@H](O)CO.
What is the InChIKey of 5-acetamido-4-hydroxy-3-propan-2-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The InChIKey is QGIPWTJLZJNHBX-FLXBVJFISA-N. The full InChI is InChI=1S/C14H25NO8/c1-5(2)8-11(20)9(15-6(3)17)13(10(19)7(18)4-16)23-12(8)14(21)22/h5,7-13,16,18-20H,4H2,1-3H3,(H,15,17)(H,21,22)/t7-,8?,9?,10-,11?,12?,13?/m1/s1.
What are the key properties of 5-acetamido-4-hydroxy-3-propan-2-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
5-acetamido-4-hydroxy-3-propan-2-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid has a molecular weight of 335.35 g/mol, XLogP of -2.31, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-4-hydroxy-3-propan-2-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is sourced from PubChem (CID 172546768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).