vitamin D2 glucosiduronate
TL;DR: vitamin D2 glucosiduronate (CAS 57803-96-0) is a chemical compound with molecular formula C34H52O7 and molecular weight 572.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-[(3E)-3-[(2E)-2-[(1R,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Vitamin D2 3-glucuronide, Vitamin D2 glucosiduronate, Vitamin D2 3beta-glucosiduronate, vitamin D2 3 beta-glucosiduronate, 2,6-Di-n-butoxyisonicotino-hydroxamsaeure
| Molecular Formula | C34H52O7 |
|---|---|
| Molecular Weight | 572.37 g/mol |
| LogP | 5.5575 |
| Topological Polar Surface Area | 116.45 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 572.3713 |
| Heavy Atoms | 41 |
| Complexity | 1043.673 |
Chemical Identifiers
| CAS Number | 57803-96-0 |
|---|---|
| SMILES | C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C\3/CC(CCC3=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C |
Product Overview
vitamin D2 glucosiduronate (CAS 57803-96-0), with molecular formula C34H52O7 and molecular weight 572.37 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[(3E)-3-[(2E)-2-[(1R,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of vitamin D2 glucosiduronate
Property Insights of vitamin D2 glucosiduronate
The XLogP value of 5.5575 indicates that vitamin D2 glucosiduronate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.45 Ų falls within the moderate polarity range, balancing permeability and solubility for vitamin D2 glucosiduronate. Following Lipinski's Rule of Five, vitamin D2 glucosiduronate has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of vitamin D2 glucosiduronate?
The CAS number of vitamin D2 glucosiduronate is 57803-96-0.
What is the molecular formula of vitamin D2 glucosiduronate?
The molecular formula of vitamin D2 glucosiduronate is C34H52O7.
What is the molecular weight of vitamin D2 glucosiduronate?
The molecular weight of vitamin D2 glucosiduronate is 572.37 g/mol.
Where can I buy vitamin D2 glucosiduronate?
You can request a quote for vitamin D2 glucosiduronate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for vitamin D2 glucosiduronate?
Yes, KEHONG BIO provides custom synthesis services for vitamin D2 glucosiduronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.