![trans-10S-N6-Benzo[a]pyrene diol dA structure](/static/products/7277/72777-36-7.webp)
trans-10S-N6-Benzo[a]pyrene diol dA
TL;DR: trans-10S-N6-Benzo[a]pyrene diol dA (CAS 72777-36-7) is a chemical compound with molecular formula C30H27N5O6 and molecular weight 553.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R,8S,9R,10S)-10-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol
Also Known As: trans-10S-N6-Benzo[a]pyrene diol dA, (7R,8S,9R,10S)-10-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol, 2'-deoxy-n-[(7r,8s,9r,10s)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]adenosine, 2'-Deoxy-N-[(7R,8S,9R,S)-7,8,9,-tetrahydro-7,8,9-trihydroxybenzo[a]pyren--yl]adenosine, (3S,4R,5S,6R)-3-({9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)pentacyclo[10.6.2.02,7.09,19.016,20]icosa-1,7,9,11,13,15,17,19-octaene-4,5,6-triol
| Molecular Formula | C30H27N5O6 |
|---|---|
| Molecular Weight | 553.20 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 553.1961 |
| Heavy Atoms | 41 |
| Complexity | 964.0 |
Chemical Identifiers
| CAS Number | 72777-36-7 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N[C@@H]4[C@H]([C@H]([C@@H](C5=C4C6=C7C(=C5)C=CC8=C7C(=CC=C8)C=C6)O)O)O)CO)O |
| InChIKey | CTZMKJGEZSMRHR-PZCPIJLBSA-N |
Product Overview
trans-10S-N6-Benzo[a]pyrene diol dA (CAS 72777-36-7), with molecular formula C30H27N5O6 and molecular weight 553.20 g/mol. IUPAC: (7R,8S,9R,10S)-10-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol.
Chemical Property Profile of trans-10S-N6-Benzo[a]pyrene diol dA
Property Insights of trans-10S-N6-Benzo[a]pyrene diol dA
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-10S-N6-Benzo[a]pyrene diol dA. The TPSA of 166.0 Ų indicates high polarity, suggesting trans-10S-N6-Benzo[a]pyrene diol dA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, trans-10S-N6-Benzo[a]pyrene diol dA 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 trans-10S-N6-Benzo[a]pyrene diol dA?
The CAS number of trans-10S-N6-Benzo[a]pyrene diol dA is 72777-36-7.
What is the molecular formula of trans-10S-N6-Benzo[a]pyrene diol dA?
The molecular formula of trans-10S-N6-Benzo[a]pyrene diol dA is C30H27N5O6.
What is the molecular weight of trans-10S-N6-Benzo[a]pyrene diol dA?
The molecular weight of trans-10S-N6-Benzo[a]pyrene diol dA is 553.20 g/mol.
Where can I buy trans-10S-N6-Benzo[a]pyrene diol dA?
You can request a quote for trans-10S-N6-Benzo[a]pyrene diol dA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-10S-N6-Benzo[a]pyrene diol dA?
Yes, KEHONG BIO provides custom synthesis services for trans-10S-N6-Benzo[a]pyrene diol dA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.