Ubichromenol , CAS No.2382-48-1

CAS: 2382-48-1 Cat. No.: U275884 Molecular Weight: 863.3 PubChem CID: 6443757

Synonyms

UNII-1EU272IO2S | Ubichromenol (90%) | UBICHROMENOL 50 [MI] | Ubichromenol (>80per cent) | Ubichromenol | DTXSID501318061 | Coenzyme Q10 (Ubiquinones ) | (R-(all-E))-7,8-Dimethoxy-2,5-dimethyl-2-(4,8,12,16,20,24,28,32,36-nonamethyl-3,7,11,15,19,23,27,31,3

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store In the Dark. This product is air and light sensitive and impurities can occur as a result of air oxidation or due to metabolism by microbes.

Specifications

Synonyms

UNII-1EU272IO2S | Ubichromenol (90%) | UBICHROMENOL 50 [MI] | Ubichromenol (>80per cent) | Ubichromenol | DTXSID501318061 | Coenzyme Q10 (Ubiquinones ) | (R-(all-E))-7, 8-Dimethoxy-2, 5-dimethyl-2-(4, 8, 12, 16, 20, 24, 28, 32, 36-nonamethyl-3, 7, 11, 15, 19, 23, 27, 31, 3

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Canonical Smiles: CC1=C2C=CC(OC2=C(C(=C1O)OC)OC)(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
• IUPAC Name: (2R)-7,8-dimethoxy-2,5-dimethyl-2-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32,36-nonamethylheptatriaconta-3,7,11,15,19,23,27,31,35-nonaenyl]chromen-6-ol
• InChIKey: ARZCDYVIZADZJN-QXCSMICNSA-N
• INCHI: 1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-42-59(12)43-41-54-53(11)55(60)57(61-13)58(62-14)56(54)63-59/h24,26,28,30,32,34,36,38,40-41,43,60H,15-23,25,27,29,31,33,35,37,39,42H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+/t59-/m1/s1
• Isomeric SMILES: CC1=C2C=C[C@@](OC2=C(C(=C1O)OC)OC)(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
• PubChem CID: 6443757
• Molecular Weight: 863.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Polyterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Polyterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyterpenoids
• Alternative Parents: 1-benzopyrans Anisoles Alkyl aryl ethers Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Polyterpenoid - 1-benzopyran - Benzopyran - Anisole - Alkyl aryl ether - Benzenoid - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as polyterpenoids. These are terpenoids consisting of more than eight isoprene units.
• 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

Chemical and Physical Properties

• Sensitivity: air and light sensitive
• Molecular Weight: 863.300 g/mol
• XLogP3: 19.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 29
• Exact Mass: 862.684 Da
• Monoisotopic Mass: 862.684 Da
• Topological Polar Surface Area: 47.900 Ų
• Heavy Atom Count: 63
• Formal Charge: 0
• Complexity: 1650.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 8
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 8
• Covalently-Bonded Unit Count: 1