3NP-Mmrfrt
TL;DR: 3NP-Mmrfrt (CAS 17727-49-0) is a chemical compound with molecular formula C29H53NO17 and molecular weight 687.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,5R,6R)-6-(3-aminopropoxy)-5-[(2S,3R,4R,5S,6S)-4-[(2S,3S,4R,5S,6S)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxy-4-hydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2-methyloxane-3,4-diol
Also Known As: 3NP-Mmrfrt, (2S,3S,4R,5R,6R)-6-(3-aminopropoxy)-5-[(2S,3R,4R,5S,6S)-4-[(2S,3S,4R,5S,6S)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxy-4-hydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2-methyloxane-3,4-diol, 3-Aminopropyl 6-deoxy-2-O-(3-O-(2-O-methyl-(4-O-methylrhamnopyranosyl)fucopyranosyl)rhamnopyranosyl)talopyranoside, (2s,3r,4r,5s,6s)-2-[(2r,3r,4r,5s,6s)-2-(3-aminopropoxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4-[(2s,3s,4r,5s,6s)-5-[(2s,3r,4s,5r,6s)-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxy-4-hydroxy-3-methoxy-6-methyloxan-2-yl]oxy-6-methyloxane-3,5-diol, 3-aminopropyl 6-deoxy-2-O-(3-O-(2-O-methyl-(4-O-methylrhamnopyranosyl)fucopyranosyl)rhamnopyranosyl)
| Molecular Formula | C29H53NO17 |
|---|---|
| Molecular Weight | 687.33 g/mol |
| LogP | -4.3 |
| Topological Polar Surface Area | 260.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Exact Mass | 687.33136 |
| Heavy Atoms | 47 |
| Complexity | 954.0 |
Chemical Identifiers
| CAS Number | 17727-49-0 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)OCCCN)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O[C@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)C)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)OC)O)O)O)OC)O)O)O |
| InChIKey | DMCKJTFEHYELGM-DDOBRSFTSA-N |
Product Overview
3NP-Mmrfrt (CAS 17727-49-0), with molecular formula C29H53NO17 and molecular weight 687.33 g/mol. IUPAC: (2S,3S,4R,5R,6R)-6-(3-aminopropoxy)-5-[(2S,3R,4R,5S,6S)-4-[(2S,3S,4R,5S,6S)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxy-4-hydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2-methyloxane-3,4-diol.
Chemical Property Profile of 3NP-Mmrfrt
Property Insights of 3NP-Mmrfrt
The XLogP value of -4.3 indicates that 3NP-Mmrfrt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 260.0 Ų indicates high polarity, suggesting 3NP-Mmrfrt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3NP-Mmrfrt has 8 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3NP-Mmrfrt?
The CAS number of 3NP-Mmrfrt is 17727-49-0.
What is the molecular formula of 3NP-Mmrfrt?
The molecular formula of 3NP-Mmrfrt is C29H53NO17.
What is the molecular weight of 3NP-Mmrfrt?
The molecular weight of 3NP-Mmrfrt is 687.33 g/mol.
Where can I buy 3NP-Mmrfrt?
You can request a quote for 3NP-Mmrfrt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3NP-Mmrfrt?
Yes, KEHONG BIO provides custom synthesis services for 3NP-Mmrfrt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.