3-epi-25-Hydroxyvitamin D₃ solution - 50μg/mL in ethanol , CAS No.73809-05-9

CAS: 73809-05-9 Cat. No.: E466713 Molecular Weight: 400.64 EC Number: 688-193-3

GRADE & PURITY 50μg/mL in ethanol

Synonyms

FT-0664199 | DTXSID30274318 | 3-epi-25-Hydroxy Vitamin D3 | (1S,3Z)-3-[(2E)-2-[(1R,7aR)-1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol | 3-Epi-25-Hydroxyvitamin D3 | 1233749-0

Storage

Protected from light,Argon charged,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Description

3-epi-25-Hydroxyvitamin D3(C3-epimer) is a metabolite of vitamin D3. It is an epimer of 25-hydroxyvitamin D3which differs only at C-3 position wherein -OH group at C-3 carbon is in the α orientation rather than in the β orientation.This product may be used as an analytical standard.

Specifications

Synonyms

FT-0664199 | DTXSID30274318 | 3-epi-25-Hydroxy Vitamin D3 | (1S, 3Z)-3-[(2E)-2-[(1R, 7aR)-1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2, 3, 3a, 5, 6, 7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol | 3-Epi-25-Hydroxyvitamin D3 | 1233749-0

Specifications & Purity

50μg/mL in ethanol

Storage

Protected from light, Argon charged, Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
• IUPAC Name: 3-[2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
• InChIKey: JWUBBDSIWDLEOM-UHFFFAOYSA-N
• INCHI: 1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3
• Isomeric SMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
• Molecular Weight: 400.64
• Reaxy-Rn: 34003584
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34003584&ln=

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Melt Point(°C): -144.0 °C
• Molecular Weight: 400.600 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 400.334 Da
• Monoisotopic Mass: 400.334 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 655.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 5
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 2
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1