(2,3,5,6-四羟基-4-磷酰氧基环己基)磷酸二氢酯
TL;DR: (2,3,5,6-四羟基-4-磷酰氧基环己基)磷酸二氢酯 (CAS 47055-78-7) is a chemical compound with molecular formula C6H14O12P2 and molecular weight 340.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,5,6-四羟基-4-磷酰氧基环己基)磷酸二氢酯
(2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl) dihydrogen phosphate
Also Known As: Inositol diphosphate, Inositol 1,4-diphosphate, inositol 1,4-bis(phosphate), inositol 1,4-bisphosphate, myo-inositol 1,4-bisphosphate
| Molecular Formula | C6H14O12P2 |
|---|---|
| Molecular Weight | 340.00 g/mol |
| LogP | -5.9 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.99606 |
| Heavy Atoms | 20 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 47055-78-7 |
|---|---|
| SMILES | C1(C(C(C(C(C1OP(=O)(O)O)O)O)OP(=O)(O)O)O)O |
| InChIKey | PELZSPZCXGTUMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,3,5,6-四羟基-4-磷酰氧基环己基)磷酸二氢酯 (CAS 47055-78-7), with molecular formula C6H14O12P2 and molecular weight 340.00 g/mol. IUPAC: (2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl) dihydrogen phosphate.
Chemical Property Profile of (2,3,5,6-四羟基-4-磷酰氧基环己基)磷酸二氢酯
Property Insights of (2,3,5,6-四羟基-4-磷酰氧基环己基)磷酸二氢酯
The XLogP value of -5.9 indicates that (2,3,5,6-四羟基-4-磷酰氧基环己基)磷酸二氢酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 214.0 Ų indicates high polarity, suggesting (2,3,5,6-四羟基-4-磷酰氧基环己基)磷酸二氢酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2,3,5,6-四羟基-4-磷酰氧基环己基)磷酸二氢酯 has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2,3,5,6-四羟基-4-磷酰氧基环己基)磷酸二氢酯?
The CAS number of (2,3,5,6-四羟基-4-磷酰氧基环己基)磷酸二氢酯 is 47055-78-7.
What is the molecular formula of (2,3,5,6-四羟基-4-磷酰氧基环己基)磷酸二氢酯?
The molecular formula of (2,3,5,6-四羟基-4-磷酰氧基环己基)磷酸二氢酯 is C6H14O12P2.
What is the molecular weight of (2,3,5,6-四羟基-4-磷酰氧基环己基)磷酸二氢酯?
The molecular weight of (2,3,5,6-四羟基-4-磷酰氧基环己基)磷酸二氢酯 is 340.00 g/mol.
Where can I buy (2,3,5,6-四羟基-4-磷酰氧基环己基)磷酸二氢酯?
You can request a quote for (2,3,5,6-四羟基-4-磷酰氧基环己基)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 (2,3,5,6-四羟基-4-磷酰氧基环己基)磷酸二氢酯?
Yes, KEHONG BIO provides custom synthesis services for (2,3,5,6-四羟基-4-磷酰氧基环己基)磷酸二氢酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.