1-(5'-(L-Citrullylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil
TL;DR: 1-(5'-(L-Citrullylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil (CAS 86632-65-7) is a chemical compound with molecular formula C16H24N6O9 and molecular weight 444.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-2-amino-5-(carbamoylamino)pentanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
Also Known As: L-citrullyl UPOC analog, Dipeptidyl Polyoxin L analog, 1-(5'-(L-Citrullylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil, 1-[5'-(L-Citrullylamino)-5'-deoxy-.beta.-D- allofuranosyluronic acid]uracil, (2S)-2-[[(2S)-2-amino-5-(carbamoylamino)pentanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
| Molecular Formula | C16H24N6O9 |
|---|---|
| Molecular Weight | 444.16 g/mol |
| LogP | -6.4 |
| Topological Polar Surface Area | 247.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 444.16046 |
| Heavy Atoms | 31 |
| Complexity | 775.0 |
Chemical Identifiers
| CAS Number | 86632-65-7 |
|---|---|
| SMILES | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H](C(O2)[C@@H](C(=O)O)NC(=O)[C@H](CCCNC(=O)N)N)O)O |
| InChIKey | CBYNLXDCLVCZJB-MJDMCLFPSA-N |
Product Overview
1-(5'-(L-Citrullylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil (CAS 86632-65-7), with molecular formula C16H24N6O9 and molecular weight 444.16 g/mol. IUPAC: (2S)-2-[[(2S)-2-amino-5-(carbamoylamino)pentanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid.
Chemical Property Profile of 1-(5'-(L-Citrullylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil
Property Insights of 1-(5'-(L-Citrullylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil
The XLogP value of -6.4 indicates that 1-(5'-(L-Citrullylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 247.0 Ų indicates high polarity, suggesting 1-(5'-(L-Citrullylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(5'-(L-Citrullylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(5'-(L-Citrullylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil?
The CAS number of 1-(5'-(L-Citrullylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil is 86632-65-7.
What is the molecular formula of 1-(5'-(L-Citrullylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil?
The molecular formula of 1-(5'-(L-Citrullylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil is C16H24N6O9.
What is the molecular weight of 1-(5'-(L-Citrullylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil?
The molecular weight of 1-(5'-(L-Citrullylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil is 444.16 g/mol.
Where can I buy 1-(5'-(L-Citrullylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil?
You can request a quote for 1-(5'-(L-Citrullylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5'-(L-Citrullylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil?
Yes, KEHONG BIO provides custom synthesis services for 1-(5'-(L-Citrullylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.