Dapiramicin B
TL;DR: Dapiramicin B (CAS 90044-18-1) is a chemical compound with molecular formula C21H29N5O11 and molecular weight 527.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Also Known As: Dapiramicin B, 5-iodo-2-isopropoxy-pyridine, 1H-Pyrrolo pyrimidine-5-carbonitrile,4-methoxy-2-((4-O- -, 1H-Pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 4-methoxy-2-((4-O-(4-O-methyl-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)amino)-, 2-[[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
| Molecular Formula | C21H29N5O11 |
|---|---|
| Molecular Weight | 527.19 g/mol |
| LogP | -3.47172 |
| Topological Polar Surface Area | 244.92 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 527.18634 |
| Heavy Atoms | 37 |
| Complexity | 1108.4769 |
Chemical Identifiers
| CAS Number | 90044-18-1 |
|---|---|
| SMILES | CO[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)NC3=NC4=C(C(=CN4)C#N)C(=N3)OC)CO)CO |
Product Overview
Dapiramicin B (CAS 90044-18-1), with molecular formula C21H29N5O11 and molecular weight 527.19 g/mol. IUPAC: 2-[[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
Chemical Property Profile of Dapiramicin B
Property Insights of Dapiramicin B
The XLogP value of -3.47172 indicates that Dapiramicin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 244.92 Ų indicates high polarity, suggesting Dapiramicin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dapiramicin B has 8 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dapiramicin B?
The CAS number of Dapiramicin B is 90044-18-1.
What is the molecular formula of Dapiramicin B?
The molecular formula of Dapiramicin B is C21H29N5O11.
What is the molecular weight of Dapiramicin B?
The molecular weight of Dapiramicin B is 527.19 g/mol.
Where can I buy Dapiramicin B?
You can request a quote for Dapiramicin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dapiramicin B?
Yes, KEHONG BIO provides custom synthesis services for Dapiramicin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.