22879-79-4
Product Name:
VITAMIN H
Formula:
C10H16N2O3S
Synonyms:
Biotin;Vitamin B7;Vitamin H;Biotinum;Coenzyme?R
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [Merck Index] White powder; [Sigma-Aldrich MSDS] |
|---|---|
| Color/Form | Long, thin needles from water |
| Melting Point | 232 dec °C |
| Solubility | >36.6 [ug/mL] (The mean of the results at pH 7.4) |
| Vapor Pressure | 0.00000001 [mmHg] |
| LogP | 0.5 |
| Stability/Shelf Life | PURE CMPD IS STABLE TO AIR & TEMP; MODERATELY ACID & NEUTRAL SOLN ARE STABLE SEVERAL MO; ALKALINE REASONABLY STABLE TO PH 9 |
| Optical Rotation | Specific optical rotation: +92 deg at 22 °C (c=1 at 0.4% NaOH) |
| Decomposition | Emits toxic fumes of NOx and SOx when heated to decomp. |
| Collision Cross Section | 150.4 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Other Experimental Properties | Fine long needles. Melting point: 232-3 °C. pH 0.01% aq soln: 4.5. Isoelectric point pH: 3.5. Solubility in water, 2.20X10+2 mg/L at 25 °C. More sol in hot water and dil alkali; in 95% alc about 80 mg/100 ml at 25 °C; insol in other common org solvents. Specific optical rotation +91 deg at 21 °C (c=1, 0.1 N NaOH). The pure compd is stable to air and temp /Milk or liver biotin/ |
| Chemical Classes | Biological Agents -> Vitamins and Derivatives |
COMPUTED DESCRIPTORS
| Molecular Weight | 244.31 g/mol |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 244.08816355 g/mol |
| Monoisotopic Mass | 244.08816355 g/mol |
| Topological Polar Surface Area | 104 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 298 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Biotin is an organic heterobicyclic compound that consists of 2-oxohexahydro-1H-thieno[3,4-d]imidazole having a valeric acid substituent attached to the tetrahydrothiophene ring. The parent of the class of biotins. It has a role as a prosthetic group, a coenzyme, a nutraceutical, a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a mouse metabolite, a cofactor and a fundamental metabolite. It is a member of biotins and a vitamin B7. It is a conjugate acid of a biotinate.