Orienticine A
TL;DR: Orienticine A (CAS 1236-00-6) is a chemical compound with molecular formula C73H89ClN10O26 and molecular weight 1556.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5-chloro-18,32,35,37-tetrahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14(47),15,17(46),29(45),30,32,34(39),35,37,49-pentadecaene-40-carboxylic acid
Also Known As: Orientiparcin, ORIENTICINE A, 2-[(4-amino-5-hydroxy-4,6-dimethyltetrahydro-2h-pyran-2-yl)oxy]-48-({3-[(4-amino-5-hydroxy-4,6-dimethyltetrahydro-2h-pyran-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl}oxy)-22-(2-amino-2-oxoethyl)-5-chloro-18,32,35,37-tetrahydroxy-19-{[4-methyl-2-(methylamino)pentanoyl]amino}-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid(non-preferred name)
| Molecular Formula | C73H89ClN10O26 |
|---|---|
| Molecular Weight | 1556.56 g/mol |
| LogP | -3.4 |
| Topological Polar Surface Area | 575.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 29 |
| Rotatable Bonds | 15 |
| Exact Mass | 1556.5638 |
| Heavy Atoms | 110 |
| Complexity | 3250.0 |
Chemical Identifiers
| CAS Number | 1236-00-6 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C7C(=O)NC(C8=C(C(=CC(=C8)O)O)C9=C(C=CC(=C9)C(C(=O)N7)NC(=O)C5NC(=O)C(NC(=O)C(C(C1=CC=C(O4)C=C1)O)NC(=O)C(CC(C)C)NC)CC(=O)N)O)C(=O)O)OC1CC(C(C(O1)C)O)(C)N)Cl)CO)O)O)(C)N)O |
| InChIKey | BURNGCVAUVZERJ-UHFFFAOYSA-N |
Product Overview
Orienticine A (CAS 1236-00-6), with molecular formula C73H89ClN10O26 and molecular weight 1556.56 g/mol. IUPAC: 2-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-48-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5-chloro-18,32,35,37-tetrahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14(47),15,17(46),29(45),30,32,34(39),35,37,49-pentadecaene-40-carboxylic acid.
Chemical Property Profile of Orienticine A
Property Insights of Orienticine A
The XLogP value of -3.4 indicates that Orienticine A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 575.0 Ų indicates high polarity, suggesting Orienticine A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Orienticine A has 20 hydrogen bond donor(s) and 29 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Orienticine A?
The CAS number of Orienticine A is 1236-00-6.
What is the molecular formula of Orienticine A?
The molecular formula of Orienticine A is C73H89ClN10O26.
What is the molecular weight of Orienticine A?
The molecular weight of Orienticine A is 1556.56 g/mol.
Where can I buy Orienticine A?
You can request a quote for Orienticine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Orienticine A?
Yes, KEHONG BIO provides custom synthesis services for Orienticine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.