Viriplanin A
TL;DR: Viriplanin A (CAS 106153-36-0) is a chemical compound with molecular formula C80H111N3O34 and molecular weight 1657.70 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[6-[6-[6-[6-[[(1R,10S,12R,13R,21S,23S,24S)-24-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4,6-dimethyl-4-nitrosooxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-23-(dimethylamino)-4,8,12-trihydroxy-13-methoxycarbonyl-1,12-dimethyl-6,17-dioxo-25-oxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaen-10-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2,4-dimethyl-4-nitrosooxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-3-methyl-4-oxobut-2-enoic acid
Also Known As: VIRIPLANIN A, (E)-4-[6-[6-[6-[6-[[(1R,10S,12R,13R,21S,23S,24S)-24-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4,6-dimethyl-4-nitrosooxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-23-(dimethylamino)-4,8,12-trihydroxy-13-methoxycarbonyl-1,12-dimethyl-6,17-dioxo-25-oxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaen-10-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2,4-dimethyl-4-nitrosooxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-3-methyl-4-oxobut-2-enoic acid, (E)-4-(6-(6-(6-(6-(((1R,10S,12R,13R,21S,23S,24S)-24-(5-(5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4,6-dimethyl-4-nitrosooxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl)oxy-23-(dimethylamino)-4,8,12-trihydroxy-13-methoxycarbonyl-1,12-dimethyl-6,17-dioxo-25-oxahexacyclo(19.3.1.02,19.05,18.07,16.09,14)pentacosa-2,4,7(16),8,14,18-hexaen-10-yl)oxy)-4-hydroxy-2-methyloxan-3-yl)oxy-4-hydroxy-2-methyloxan-3-yl)oxy-2,4-dimethyl-4-nitrosooxan-3-yl)oxy-4-methoxy-2-methyloxan-3-yl)oxy-3-methyl-4-oxobut-2-enoic acid
| Molecular Formula | C80H111N3O34 |
|---|---|
| Molecular Weight | 1657.70 g/mol |
| LogP | 3.9005 |
| Topological Polar Surface Area | 495.66 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 36 |
| Rotatable Bonds | 22 |
| Exact Mass | 1657.705 |
| Heavy Atoms | 117 |
| Complexity | 4042.4026 |
Chemical Identifiers
| CAS Number | 106153-36-0 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2(C)N=O)OC3C(OC(CC3O)O[C@H]4[C@H](C[C@@H]5CC6=C7C(=C(C=C6[C@]4(O5)C)O)C(=O)C8=C(C7=O)C=C9[C@H]([C@](C[C@@H](C9=C8O)OC1CC(C(C(O1)C)OC1CC(C(C(O1)C)OC1CC(C(C(O1)C)OC1CC(C(C(O1)C)OC(=O)/C(=C/C(=O)O)/C)OC)(C)N=O)O)O)(C)O)C(=O)OC)N(C)C)C)C)O)O |
Product Overview
Viriplanin A (CAS 106153-36-0), with molecular formula C80H111N3O34 and molecular weight 1657.70 g/mol. IUPAC: (E)-4-[6-[6-[6-[6-[[(1R,10S,12R,13R,21S,23S,24S)-24-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4,6-dimethyl-4-nitrosooxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-23-(dimethylamino)-4,8,12-trihydroxy-13-methoxycarbonyl-1,12-dimethyl-6,17-dioxo-25-oxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaen-10-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2,4-dimethyl-4-nitrosooxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-3-methyl-4-oxobut-2-enoic acid.
Chemical Property Profile of Viriplanin A
Property Insights of Viriplanin A
The XLogP value of 3.9005 indicates that Viriplanin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 495.66 Ų indicates high polarity, suggesting Viriplanin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Viriplanin A has 9 hydrogen bond donor(s) and 36 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Viriplanin A?
The CAS number of Viriplanin A is 106153-36-0.
What is the molecular formula of Viriplanin A?
The molecular formula of Viriplanin A is C80H111N3O34.
What is the molecular weight of Viriplanin A?
The molecular weight of Viriplanin A is 1657.70 g/mol.
Where can I buy Viriplanin A?
You can request a quote for Viriplanin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Viriplanin A?
Yes, KEHONG BIO provides custom synthesis services for Viriplanin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.