25-Hydroxy Vitamin D2-d6 - ≥98 atom% D,≥98% , CAS No.1262843-46-8

CAS: 1262843-46-8 Cat. No.: H336275 Formula: C₂₈H₃₈D₆O₂ Peso molecolare: 418.68 Numero EC: 112-532-1 PubChem CID: 66577027

QUALITÀ & PUREZZA ≥98 atom% D,≥98%

Synonyms

(3S,5Z,7E,22E)-(26,26,26,27,27,27-~2~H_6_)-9,10-Secoergosta-5,7,10,22-tetraene-3,25-diol | AKOS025401839 | MFCD22124894 | PD101591 | MS-27329 | AC-26346 | 25-Hydroxy VD2-D6 | 25-Hydroxy Vitamin D2 (26,26,26,27,27,27-d6) | HY-15328 | DTXSID90735354 | (1S,3

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifiche

Sinonimi

(3S,5Z,7E,22E)-(26,26,26,27,27,27-~2~H_6_)-9,10-Secoergosta-5,7,10,22-tetraene-3,25-diol | AKOS025401839 | MFCD22124894 | PD101591 | MS-27329 | AC-26346 | 25-Hydroxy VD2-D6 | 25-Hydroxy Vitamin D2 (26,26,26,27,27,27-d6) | HY-15328 | DTXSID90735354 | (1S,3

Specifiche e purezza

≥98 atom% D,≥98%

Condizioni di conservazione di stoccaggio

Protected from light,Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

ACTIVATOR

Purezza

≥98 atom% D,≥98%

Nomi e identificatori

Sorrisi canonici

CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C

IUPAC Name

(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R,5S)-7,7,7-trideuterio-6-hydroxy-5-methyl-6-(trideuteriomethyl)hept-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

InChIKey

KJKIIUAXZGLUND-SGQRFKNGSA-N

INCHI

1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9+,22-12+,23-13-/t20-,21+,24+,25-,26+,28-/m1/s1/i4D3,5D3

Isomeri SMILES

[2H]C([2H])([2H])C([C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)(C([2H])([2H])[2H])O

PubChem CID

66577027

Peso molecolare

418.68

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Steroids and steroid derivatives
      • Subclass Vitamin D and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Vitamin D and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Vitamin D and derivatives
• Alternative Parents: Triterpenoids Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive
• Punto di fusione (°C): 78-80° C
• Peso molecolare: 418.700 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 418.372 Da
• Monoisotopic Mass: 418.372 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 725.000
• Isotope Atom Count: 6
• Defined Atom Stereocenter Count: 6
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is isotopically enriched to ≥98 atom% deuterium. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?80 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1262843-46-8, the molecular formula is C28H38D6O2, and the molecular weight is 418.68 g/mol. InChIKey KJKIIUAXZGLUND-SGQRFKNGSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.