-
Name
5-{2-[1-(5-Hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexane-1,3-diol
- EINECS
- CAS No. 73837-24-8
- Article Data6
- CAS DataBase
- Density 0.958g/cm3
- Solubility
- Melting Point
- Formula C27H44 O3
- Boiling Point 621.928°C at 760 mmHg
- Molecular Weight 416.645
- Flash Point 329.931°C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol,(1a,3b,5E,7E)- (9CI); 1,25-Dihydroxy-5,6-trans-vitamin D3; 1a,25-Dihydroxy-5,6-trans-vitaminD3; 5,6-trans-1a,25-DihydroxyvitaminD3
- PSA 60.69000
- LogP 5.70470
5,6-trans-1a,25-Dihydroxyvitamin D3 Chemical Properties
Molecular structure of 5,6-trans-1a,25-Dihydroxyvitamin D3 (CAS NO.73837-24-8) is:
Product Name: 5,6-trans-1a,25-Dihydroxyvitamin D3
CAS Registry Number: 73837-24-8
Systematic Name: 9,10-Secocholesta-5,7,10-triene-1,3,25-triol
Molecular Formula: C27H44O3
Molecular Weight: 416.64
Index of Refraction: 1.547
Molar Refractivity: 124.35 cm3
Molar Volume: 391.8 cm3
Surface Tension: 44 dyne/cm
Density: 1.06 g/cm3
Flash Point: 238.4 °C
Enthalpy of Vaporization: 97.51 kJ/mol
Boiling Point: 565 °C at 760 mmHg
Vapour Pressure: 4.05E-15 mmHg at 25 °C
SMILES: OC3C(=C)/C(=CC=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC(O)C3
InChI: InChI=1/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3
InChIKey: GMRQFYUYWCNGIN-UHFFFAOYAR
Std. InChI: InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3
Std. InChIKey: GMRQFYUYWCNGIN-UHFFFAOYSA-N
5,6-trans-1a,25-Dihydroxyvitamin D3 Specification
5,6-trans-1a,25-Dihydroxyvitamin D3 , its cas register number is 73837-24-8. It also can be called 5-{2-[1-(5-Hydroxy-1,5-dimethylhexyl)-7a-methyl-octahydro-inden-4-ylidene]ethylidene}-4-methylenecyclohexane-1,3-diol ; 1,3-Cyclohexanediol,4-methylene-5-[(2E)-2-[(1R,3aS,7aS)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S,5E)- .
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