D-Glucose, 2-deoxy-2-((4-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-, (1R-(1alpha,2beta,4abeta,8aalpha))-
TL;DR: D-Glucose, 2-deoxy-2-((4-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-, (1R-(1alpha,2beta,4abeta,8aalpha))- (CAS 129885-22-9) is a chemical compound with molecular formula C27H39NO7 and molecular weight 489.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[4-[[(1R,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]-3,4,5,6-tetrahydroxyhexanal
Also Known As: D-Glucose, 2-deoxy-2-((4-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-, (1R-(1alpha,2beta,4abeta,8aalpha))-, (2R)-2-[[4-[[(1R,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]-3,4,5,6-tetrahydroxyhexanal, 2-Deoxy-2-({3,6-dioxo-4-[(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl]cyclohexa-1,4-dien-1-yl}amino)hexose, 2-Deoxy-2-[(3,6-dioxo-4-{[(1R,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]methyl}cyclohexa-1,4-dien-1-yl)amino]-D-glycero-hexose
| Molecular Formula | C27H39NO7 |
|---|---|
| Molecular Weight | 489.27 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 489.27264 |
| Heavy Atoms | 35 |
| Complexity | 953.0 |
Chemical Identifiers
| CAS Number | 129885-22-9 |
|---|---|
| SMILES | CC1CC[C@]2([C@H]([C@]1(C)CC3=CC(=O)C(=CC3=O)N[C@@H](C=O)C(C(C(CO)O)O)O)CCC=C2C)C |
| InChIKey | PCVGJLMXYRPNCO-KHPDQRQMSA-N |
Product Overview
D-Glucose, 2-deoxy-2-((4-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-, (1R-(1alpha,2beta,4abeta,8aalpha))- (CAS 129885-22-9), with molecular formula C27H39NO7 and molecular weight 489.27 g/mol. IUPAC: (2R)-2-[[4-[[(1R,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]-3,4,5,6-tetrahydroxyhexanal.
Chemical Property Profile of D-Glucose, 2-deoxy-2-((4-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-, (1R-(1alpha,2beta,4abeta,8aalpha))-
Property Insights of D-Glucose, 2-deoxy-2-((4-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-, (1R-(1alpha,2beta,4abeta,8aalpha))-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for D-Glucose, 2-deoxy-2-((4-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-, (1R-(1alpha,2beta,4abeta,8aalpha))-. The TPSA of 144.0 Ų indicates high polarity, suggesting D-Glucose, 2-deoxy-2-((4-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-, (1R-(1alpha,2beta,4abeta,8aalpha))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D-Glucose, 2-deoxy-2-((4-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-, (1R-(1alpha,2beta,4abeta,8aalpha))- has 5 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 D-Glucose, 2-deoxy-2-((4-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-, (1R-(1alpha,2beta,4abeta,8aalpha))-?
The CAS number of D-Glucose, 2-deoxy-2-((4-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-, (1R-(1alpha,2beta,4abeta,8aalpha))- is 129885-22-9.
What is the molecular formula of D-Glucose, 2-deoxy-2-((4-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-, (1R-(1alpha,2beta,4abeta,8aalpha))-?
The molecular formula of D-Glucose, 2-deoxy-2-((4-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-, (1R-(1alpha,2beta,4abeta,8aalpha))- is C27H39NO7.
What is the molecular weight of D-Glucose, 2-deoxy-2-((4-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-, (1R-(1alpha,2beta,4abeta,8aalpha))-?
The molecular weight of D-Glucose, 2-deoxy-2-((4-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-, (1R-(1alpha,2beta,4abeta,8aalpha))- is 489.27 g/mol.
Where can I buy D-Glucose, 2-deoxy-2-((4-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-, (1R-(1alpha,2beta,4abeta,8aalpha))-?
You can request a quote for D-Glucose, 2-deoxy-2-((4-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-, (1R-(1alpha,2beta,4abeta,8aalpha))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-Glucose, 2-deoxy-2-((4-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-, (1R-(1alpha,2beta,4abeta,8aalpha))-?
Yes, KEHONG BIO provides custom synthesis services for D-Glucose, 2-deoxy-2-((4-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-, (1R-(1alpha,2beta,4abeta,8aalpha))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.