(2R,3R,4S)-3-acetamido-4-cyanamido-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid
TL;DR: (2R,3R,4S)-3-acetamido-4-cyanamido-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid (CAS 149398-58-3) is a chemical compound with molecular formula C12H17N3O7 and molecular weight 315.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S)-3-acetamido-4-(cyanoamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
Also Known As: (2R,3R,4S)-3-acetamido-4-cyanamido-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid, (2R,3R,4S)-4-(cyanoamino)-3-acetamido-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid, 5-(Acetylamino)-4-cyanoamino-2,6-anhydro-3,4,5-trideoxy-D-glycero-D-galacto- non-2-enonic acid
| Molecular Formula | C12H17N3O7 |
|---|---|
| Molecular Weight | 315.11 g/mol |
| LogP | -2.98822 |
| Topological Polar Surface Area | 172.14 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.10666 |
| Heavy Atoms | 22 |
| Complexity | 501.43857 |
Chemical Identifiers
| CAS Number | 149398-58-3 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)NC#N |
Product Overview
(2R,3R,4S)-3-acetamido-4-cyanamido-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid (CAS 149398-58-3), with molecular formula C12H17N3O7 and molecular weight 315.11 g/mol. IUPAC: (2R,3R,4S)-3-acetamido-4-(cyanoamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid.
Chemical Property Profile of (2R,3R,4S)-3-acetamido-4-cyanamido-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid
Property Insights of (2R,3R,4S)-3-acetamido-4-cyanamido-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid
The XLogP value of -2.98822 indicates that (2R,3R,4S)-3-acetamido-4-cyanamido-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 172.14 Ų indicates high polarity, suggesting (2R,3R,4S)-3-acetamido-4-cyanamido-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2R,3R,4S)-3-acetamido-4-cyanamido-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2R,3R,4S)-3-acetamido-4-cyanamido-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid?
The CAS number of (2R,3R,4S)-3-acetamido-4-cyanamido-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid is 149398-58-3.
What is the molecular formula of (2R,3R,4S)-3-acetamido-4-cyanamido-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid?
The molecular formula of (2R,3R,4S)-3-acetamido-4-cyanamido-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid is C12H17N3O7.
What is the molecular weight of (2R,3R,4S)-3-acetamido-4-cyanamido-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid?
The molecular weight of (2R,3R,4S)-3-acetamido-4-cyanamido-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid is 315.11 g/mol.
Where can I buy (2R,3R,4S)-3-acetamido-4-cyanamido-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid?
You can request a quote for (2R,3R,4S)-3-acetamido-4-cyanamido-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,3R,4S)-3-acetamido-4-cyanamido-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2R,3R,4S)-3-acetamido-4-cyanamido-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.