3-Deoxy-2-octulosonic acid(2)-lipid IV(A)
TL;DR: 3-Deoxy-2-octulosonic acid(2)-lipid IV(A) (CAS 143600-83-3) is a chemical compound with molecular formula C84H154N2O37P2 and molecular weight 1844.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4R,5R,6R)-2-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-[[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R,5R,6R)-3-hydroxy-5-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxy-6-phosphonooxyoxan-2-yl]methoxy]-5-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxy-3-phosphonooxyoxan-2-yl]methoxy]oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid
Also Known As: (KDO)2-lipid IVA, KDO2-lipid IVA, Kdo(2)-lipid IV(A), KDO2-lipid IV(A), 3-Deoxy-2-octulosonic acid(2)-lipid IV(A)
| Molecular Formula | C84H154N2O37P2 |
|---|---|
| Molecular Weight | 1844.97 g/mol |
| LogP | 6.2122 |
| Topological Polar Surface Area | 626.29 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 31 |
| Rotatable Bonds | 70 |
| Exact Mass | 1844.9706 |
| Heavy Atoms | 125 |
| Complexity | 3092.107 |
Chemical Identifiers
| CAS Number | 143600-83-3 |
|---|---|
| SMILES | CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O[C@@]4(C[C@H]([C@H]([C@H](O4)[C@@H](CO)O)O)O)C(=O)O)C(=O)O)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O |
Product Overview
3-Deoxy-2-octulosonic acid(2)-lipid IV(A) (CAS 143600-83-3), with molecular formula C84H154N2O37P2 and molecular weight 1844.97 g/mol. IUPAC: (2R,4R,5R,6R)-2-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-[[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R,5R,6R)-3-hydroxy-5-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxy-6-phosphonooxyoxan-2-yl]methoxy]-5-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxy-3-phosphonooxyoxan-2-yl]methoxy]oxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of 3-Deoxy-2-octulosonic acid(2)-lipid IV(A)
Property Insights of 3-Deoxy-2-octulosonic acid(2)-lipid IV(A)
The XLogP value of 6.2122 indicates that 3-Deoxy-2-octulosonic acid(2)-lipid IV(A) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 626.29 Ų indicates high polarity, suggesting 3-Deoxy-2-octulosonic acid(2)-lipid IV(A) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Deoxy-2-octulosonic acid(2)-lipid IV(A) has 20 hydrogen bond donor(s) and 31 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Deoxy-2-octulosonic acid(2)-lipid IV(A)?
The CAS number of 3-Deoxy-2-octulosonic acid(2)-lipid IV(A) is 143600-83-3.
What is the molecular formula of 3-Deoxy-2-octulosonic acid(2)-lipid IV(A)?
The molecular formula of 3-Deoxy-2-octulosonic acid(2)-lipid IV(A) is C84H154N2O37P2.
What is the molecular weight of 3-Deoxy-2-octulosonic acid(2)-lipid IV(A)?
The molecular weight of 3-Deoxy-2-octulosonic acid(2)-lipid IV(A) is 1844.97 g/mol.
Where can I buy 3-Deoxy-2-octulosonic acid(2)-lipid IV(A)?
You can request a quote for 3-Deoxy-2-octulosonic acid(2)-lipid IV(A) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Deoxy-2-octulosonic acid(2)-lipid IV(A)?
Yes, KEHONG BIO provides custom synthesis services for 3-Deoxy-2-octulosonic acid(2)-lipid IV(A) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.