2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl dihydrogen phosphate
TL;DR: 2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl dihydrogen phosphate (CAS 25878-33-5) is a chemical compound with molecular formula C9H12N3O7P and molecular weight 305.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,4R,5R,6R)-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-yl] dihydrogen phosphate
Also Known As: 2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl dihydrogen phosphate, [(2R,3R,3aR,9aR)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydrofuro[[?]:[?]]oxazolo[[?]]pyrimidin-3-yl] dihydrogen phosphate, {6H-Furo[2',3',4,5]oxazolo[3,2-a]pyrimidine-2-methanol,} 6-imino-2, 3,3a,9a-tetrahydro-3-hydroxy-, 3-(dihydrogen phosphate), {6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-2-methanol,} 2,3,3a, 9a-tetrahydro-6-imino-3-(phosphonooxy)-, (2R-(2.alpha.,3.beta., 3a.beta.,9a.beta.))-, 2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-yl dihydrogen phosphate
| Molecular Formula | C9H12N3O7P |
|---|---|
| Molecular Weight | 305.04 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.0413 |
| Heavy Atoms | 20 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 25878-33-5 |
|---|---|
| SMILES | C1=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)OC2=NC1=N |
| InChIKey | MHEIPMMGYDKOAW-XVFCMESISA-N |
Product Overview
2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl dihydrogen phosphate (CAS 25878-33-5), with molecular formula C9H12N3O7P and molecular weight 305.04 g/mol. IUPAC: [(2R,4R,5R,6R)-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-yl] dihydrogen phosphate.
Chemical Property Profile of 2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl dihydrogen phosphate
Property Insights of 2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl dihydrogen phosphate
The XLogP value of -4.0 indicates that 2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl dihydrogen phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.0 Ų indicates high polarity, suggesting 2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl dihydrogen phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl dihydrogen phosphate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl dihydrogen phosphate?
The CAS number of 2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl dihydrogen phosphate is 25878-33-5.
What is the molecular formula of 2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl dihydrogen phosphate?
The molecular formula of 2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl dihydrogen phosphate is C9H12N3O7P.
What is the molecular weight of 2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl dihydrogen phosphate?
The molecular weight of 2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl dihydrogen phosphate is 305.04 g/mol.
Where can I buy 2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl dihydrogen phosphate?
You can request a quote for 2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl dihydrogen phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl dihydrogen phosphate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo(2',3':4,5)(1,3)oxazolo(3,2-a)pyrimidin-3-yl dihydrogen phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.