![(2R,3R,4S)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol structure](/static/products/1173/117309-41-8.webp)
(2R,3R,4S)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol
TL;DR: (2R,3R,4S)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol (CAS 117309-41-8) is a chemical compound with molecular formula C28H27N5O6 and molecular weight 529.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol
Also Known As: (2R,3R,4S)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol, 2'-deoxy-n-[(2r,3r,4s)-2,3,4-trihydroxy-1,2,3,4-tetrahydrobenzo[c]phenanthren-1-yl]adenosine, 9-(2-Deoxypentofuranosyl)-N-(2,3,4-trihydroxy-1,2,3,4-tetrahydrobenzo[c]phenanthren-1-yl)-9H-purin-6-amine, Adenosine, 2'-deoxy-N-((1R,2S,3R,4S)-1,2,3,4-tetrahydro-2,3,4-trihydroxybenzo(c)phenanthren-1-yl)-, Adenosine, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxybenzo(c)phenanthren-1-yl)-, (1S-(1alpha,2beta,3alpha,5beta))-
| Molecular Formula | C28H27N5O6 |
|---|---|
| Molecular Weight | 529.20 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 529.1961 |
| Heavy Atoms | 39 |
| Complexity | 872.0 |
Chemical Identifiers
| CAS Number | 117309-41-8 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC4[C@H]([C@@H]([C@H](C5=C4C6=C(C=CC7=CC=CC=C76)C=C5)O)O)O)CO)O |
| InChIKey | KZCQTFDJSLTNCI-XFSSJDBLSA-N |
Product Overview
(2R,3R,4S)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol (CAS 117309-41-8), with molecular formula C28H27N5O6 and molecular weight 529.20 g/mol. IUPAC: (2R,3R,4S)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol.
Chemical Property Profile of (2R,3R,4S)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol
Property Insights of (2R,3R,4S)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R,3R,4S)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol. The TPSA of 166.0 Ų indicates high polarity, suggesting (2R,3R,4S)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2R,3R,4S)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol has 6 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 (2R,3R,4S)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol?
The CAS number of (2R,3R,4S)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol is 117309-41-8.
What is the molecular formula of (2R,3R,4S)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol?
The molecular formula of (2R,3R,4S)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol is C28H27N5O6.
What is the molecular weight of (2R,3R,4S)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol?
The molecular weight of (2R,3R,4S)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol is 529.20 g/mol.
Where can I buy (2R,3R,4S)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol?
You can request a quote for (2R,3R,4S)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol 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)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol?
Yes, KEHONG BIO provides custom synthesis services for (2R,3R,4S)-1-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-1,2,3,4-tetrahydrobenzo[g]phenanthrene-2,3,4-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.