Didrothenat
TL;DR: Didrothenat (CAS 3563-84-6) is a chemical compound with molecular formula C30H58N8O17 and molecular weight 802.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
Also Known As: Didrothenat, Panthomycin, Dihydrostreptomycin pantothenate, DHS-pantothenat [German], DSM-pantothenat [German]
| Molecular Formula | C30H58N8O17 |
|---|---|
| Molecular Weight | 802.39 g/mol |
| LogP | -9.41 |
| Topological Polar Surface Area | 446.0 Ų |
| Hydrogen Bond Donors | 17 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 15 |
| Exact Mass | 802.39197 |
| Heavy Atoms | 55 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 3563-84-6 |
|---|---|
| SMILES | C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(CO)O.CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O |
| InChIKey | BCYSNOFYSIJRNM-FGZKHVCBSA-N |
Product Overview
Didrothenat (CAS 3563-84-6), with molecular formula C30H58N8O17 and molecular weight 802.39 g/mol. IUPAC: 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid.
Chemical Property Profile of Didrothenat
Property Insights of Didrothenat
The XLogP value of -9.41 indicates that Didrothenat is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 446.0 Ų indicates high polarity, suggesting Didrothenat may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Didrothenat has 17 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Didrothenat?
The CAS number of Didrothenat is 3563-84-6.
What is the molecular formula of Didrothenat?
The molecular formula of Didrothenat is C30H58N8O17.
What is the molecular weight of Didrothenat?
The molecular weight of Didrothenat is 802.39 g/mol.
Where can I buy Didrothenat?
You can request a quote for Didrothenat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Didrothenat?
Yes, KEHONG BIO provides custom synthesis services for Didrothenat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.