(2R,3R,6S)-3-acetamido-6-methoxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylic acid

C12H19NO8 — CID 10267068

IUPAC(2R,3R,6S)-3-acetamido-6-methoxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylic acid
SMILESCO[C@@]1(C(=O)O)C=C[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1
InChIInChI=1S/C12H19NO8/c1-6(15)13-7-3-4-12(20-2,11(18)19)21-10(7)9(17)8(16)5-14/h3-4,7-10,14,16-17H,5H2,1-2H3,(H,13,15)(H,18,19)/t7-,8-,9-,10-,12+/m1/s1
InChIKeyIFCTWKPVIXQECG-CDPPZIPSSA-N
MW305.28 g/mol
LogP-2.41
Rot. Bonds6

About (2R,3R,6S)-3-acetamido-6-methoxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylic acid

(2R,3R,6S)-3-acetamido-6-methoxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylic acid (PubChem CID 10267068) has the molecular formula C12H19NO8 and a molecular weight of 305.28 g/mol. Its IUPAC name is (2R,3R,6S)-3-acetamido-6-methoxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylic acid.

Molecular Properties

Compound Name(2R,3R,6S)-3-acetamido-6-methoxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylic acid
PubChem CID10267068
Molecular FormulaC12H19NO8
Molecular Weight305.28 g/mol
Exact Mass305.11
IUPAC Name(2R,3R,6S)-3-acetamido-6-methoxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylic acid
SMILESCO[C@@]1(C(=O)O)C=C[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1
InChIInChI=1S/C12H19NO8/c1-6(15)13-7-3-4-12(20-2,11(18)19)21-10(7)9(17)8(16)5-14/h3-4,7-10,14,16-17H,5H2,1-2H3,(H,13,15)(H,18,19)/t7-,8-,9-,10-,12+/m1/s1
InChIKeyIFCTWKPVIXQECG-CDPPZIPSSA-N
XLogP-2.41
TPSA145.55 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 5-2.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3R,6S)-3-acetamido-6-methoxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6S)-3-acetamido-6-methoxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylic acid?
The IUPAC name of (2R,3R,6S)-3-acetamido-6-methoxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylic acid (CID 10267068) is (2R,3R,6S)-3-acetamido-6-methoxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylic acid.
What is the SMILES notation for (2R,3R,6S)-3-acetamido-6-methoxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylic acid?
The canonical SMILES for (2R,3R,6S)-3-acetamido-6-methoxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylic acid is CO[C@@]1(C(=O)O)C=C[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1.
What is the InChIKey of (2R,3R,6S)-3-acetamido-6-methoxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylic acid?
The InChIKey is IFCTWKPVIXQECG-CDPPZIPSSA-N. The full InChI is InChI=1S/C12H19NO8/c1-6(15)13-7-3-4-12(20-2,11(18)19)21-10(7)9(17)8(16)5-14/h3-4,7-10,14,16-17H,5H2,1-2H3,(H,13,15)(H,18,19)/t7-,8-,9-,10-,12+/m1/s1.
What are the key properties of (2R,3R,6S)-3-acetamido-6-methoxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylic acid?
(2R,3R,6S)-3-acetamido-6-methoxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylic acid has a molecular weight of 305.28 g/mol, XLogP of -2.41, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6S)-3-acetamido-6-methoxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylic acid is sourced from PubChem (CID 10267068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).