(2,3,4-三羟基-3-甲基丁基)磷酸二氢酯
TL;DR: (2,3,4-三羟基-3-甲基丁基)磷酸二氢酯 (CAS 206440-72-4) is a chemical compound with molecular formula C5H13O7P and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4-三羟基-3-甲基丁基)磷酸二氢酯
(2,3,4-trihydroxy-3-methylbutyl) dihydrogen phosphate
Also Known As: 2-C-Methylerythritol 4-phosphate, 2-C-Methyl-D-erythritol 4-phosphate, (2,3,4-trihydroxy-3-methylbutyl) dihydrogen phosphate, 2,3,4-trihydroxy-3-methylbutyl dihydrogen phosphate, RefChem:1049586
| Molecular Formula | C5H13O7P |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | -3.3 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 216.03989 |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 206440-72-4 |
|---|---|
| SMILES | CC(CO)(C(COP(=O)(O)O)O)O |
| InChIKey | XMWHRVNVKDKBRG-UHFFFAOYSA-N |
Product Overview
(2,3,4-三羟基-3-甲基丁基)磷酸二氢酯 (CAS 206440-72-4), with molecular formula C5H13O7P and molecular weight 216.04 g/mol. IUPAC: (2,3,4-trihydroxy-3-methylbutyl) dihydrogen phosphate.
Chemical Property Profile of (2,3,4-三羟基-3-甲基丁基)磷酸二氢酯
Property Insights of (2,3,4-三羟基-3-甲基丁基)磷酸二氢酯
The XLogP value of -3.3 indicates that (2,3,4-三羟基-3-甲基丁基)磷酸二氢酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,3,4-三羟基-3-甲基丁基)磷酸二氢酯. Following Lipinski's Rule of Five, (2,3,4-三羟基-3-甲基丁基)磷酸二氢酯 has 5 hydrogen bond donor(s) and 7 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 (2,3,4-三羟基-3-甲基丁基)磷酸二氢酯?
The CAS number of (2,3,4-三羟基-3-甲基丁基)磷酸二氢酯 is 206440-72-4.
What is the molecular formula of (2,3,4-三羟基-3-甲基丁基)磷酸二氢酯?
The molecular formula of (2,3,4-三羟基-3-甲基丁基)磷酸二氢酯 is C5H13O7P.
What is the molecular weight of (2,3,4-三羟基-3-甲基丁基)磷酸二氢酯?
The molecular weight of (2,3,4-三羟基-3-甲基丁基)磷酸二氢酯 is 216.04 g/mol.
Where can I buy (2,3,4-三羟基-3-甲基丁基)磷酸二氢酯?
You can request a quote for (2,3,4-三羟基-3-甲基丁基)磷酸二氢酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,3,4-三羟基-3-甲基丁基)磷酸二氢酯?
Yes, KEHONG BIO provides custom synthesis services for (2,3,4-三羟基-3-甲基丁基)磷酸二氢酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.