![(1R,2S,3S,4S,4aR,11bR)-1,3,4,4a,5,11b-Hexahydro-1,2,3,4-tetrahydroxy-7-(phosphonooxy)[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one structure](/static/products/380/380892-50-2.png)
(1R,2S,3S,4S,4aR,11bR)-1,3,4,4a,5,11b-Hexahydro-1,2,3,4-tetrahydroxy-7-(phosphonooxy)[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one
TL;DR: (1R,2S,3S,4S,4aR,11bR)-1,3,4,4a,5,11b-Hexahydro-1,2,3,4-tetrahydroxy-7-(phosphonooxy)[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one (CAS 380892-50-2) is a chemical compound with molecular formula C14H16NO11P and molecular weight 405.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,3S,4S,4aR,11bR)-1,2,3,4-tetrahydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-7-yl] dihydrogen phosphate
Also Known As: (1R,2S,3S,4S,4aR,11bR)-1,3,4,4a,5,11b-Hexahydro-1,2,3,4-tetrahydroxy-7-(phosphonooxy)[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one
| Molecular Formula | C14H16NO11P |
|---|---|
| Molecular Weight | 405.05 g/mol |
| LogP | -2.4604 |
| Topological Polar Surface Area | 195.24 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 405.0461 |
| Heavy Atoms | 27 |
| Complexity | 853.95557 |
Chemical Identifiers
| CAS Number | 380892-50-2 |
|---|---|
| SMILES | C1OC2=C(O1)C(=C3C(=C2)[C@@H]4[C@H]([C@@H]([C@@H]([C@H]([C@@H]4O)O)O)O)NC3=O)OP(=O)(O)O |
Product Overview
(1R,2S,3S,4S,4aR,11bR)-1,3,4,4a,5,11b-Hexahydro-1,2,3,4-tetrahydroxy-7-(phosphonooxy)[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one (CAS 380892-50-2), with molecular formula C14H16NO11P and molecular weight 405.05 g/mol. IUPAC: [(1R,2S,3S,4S,4aR,11bR)-1,2,3,4-tetrahydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-7-yl] dihydrogen phosphate.
Chemical Property Profile of (1R,2S,3S,4S,4aR,11bR)-1,3,4,4a,5,11b-Hexahydro-1,2,3,4-tetrahydroxy-7-(phosphonooxy)[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one
Property Insights of (1R,2S,3S,4S,4aR,11bR)-1,3,4,4a,5,11b-Hexahydro-1,2,3,4-tetrahydroxy-7-(phosphonooxy)[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one
The XLogP value of -2.4604 indicates that (1R,2S,3S,4S,4aR,11bR)-1,3,4,4a,5,11b-Hexahydro-1,2,3,4-tetrahydroxy-7-(phosphonooxy)[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 195.24 Ų indicates high polarity, suggesting (1R,2S,3S,4S,4aR,11bR)-1,3,4,4a,5,11b-Hexahydro-1,2,3,4-tetrahydroxy-7-(phosphonooxy)[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (1R,2S,3S,4S,4aR,11bR)-1,3,4,4a,5,11b-Hexahydro-1,2,3,4-tetrahydroxy-7-(phosphonooxy)[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1R,2S,3S,4S,4aR,11bR)-1,3,4,4a,5,11b-Hexahydro-1,2,3,4-tetrahydroxy-7-(phosphonooxy)[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one?
The CAS number of (1R,2S,3S,4S,4aR,11bR)-1,3,4,4a,5,11b-Hexahydro-1,2,3,4-tetrahydroxy-7-(phosphonooxy)[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one is 380892-50-2.
What is the molecular formula of (1R,2S,3S,4S,4aR,11bR)-1,3,4,4a,5,11b-Hexahydro-1,2,3,4-tetrahydroxy-7-(phosphonooxy)[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one?
The molecular formula of (1R,2S,3S,4S,4aR,11bR)-1,3,4,4a,5,11b-Hexahydro-1,2,3,4-tetrahydroxy-7-(phosphonooxy)[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one is C14H16NO11P.
What is the molecular weight of (1R,2S,3S,4S,4aR,11bR)-1,3,4,4a,5,11b-Hexahydro-1,2,3,4-tetrahydroxy-7-(phosphonooxy)[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one?
The molecular weight of (1R,2S,3S,4S,4aR,11bR)-1,3,4,4a,5,11b-Hexahydro-1,2,3,4-tetrahydroxy-7-(phosphonooxy)[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one is 405.05 g/mol.
Where can I buy (1R,2S,3S,4S,4aR,11bR)-1,3,4,4a,5,11b-Hexahydro-1,2,3,4-tetrahydroxy-7-(phosphonooxy)[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one?
You can request a quote for (1R,2S,3S,4S,4aR,11bR)-1,3,4,4a,5,11b-Hexahydro-1,2,3,4-tetrahydroxy-7-(phosphonooxy)[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,2S,3S,4S,4aR,11bR)-1,3,4,4a,5,11b-Hexahydro-1,2,3,4-tetrahydroxy-7-(phosphonooxy)[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (1R,2S,3S,4S,4aR,11bR)-1,3,4,4a,5,11b-Hexahydro-1,2,3,4-tetrahydroxy-7-(phosphonooxy)[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.