Méthylcobalamine - ≥98% , CAS No.13422-55-4

CAS: 13422-55-4 Cat. No.: M100803 Formule: C₆₃H₉₁CoN₁₃O₁₄P Poids moléculaire: 1344.38 Numéro CE: 236-535-3 PubChem CID: 10898559

GRADE & PURITY ≥98%

Synonyms

AKOS015840090 | Q-201390 | HMS3886G09 | AC-2035 | carbanide;cobalt(3+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tri

Storage

A l'abri de la lumière,A conserver à -20°C

Shipped In

Glacière + blocs de glace

Specifications

Synonymes

AKOS015840090 | Q-201390 | HMS3886G09 | AC-2035 | carbanide;cobalt(3+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tri

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

MeCbl est un coenzyme de la méthionine synthase. Dans le cycle de méthylation, la méthionine synthase est impliquée dans la conversion de l'homocystéine en méthionine. Il s'agit d'un ingrédient majeur dans l'amélioration des troubles neurologiques, du syn

Conditions de stockage de stockage

A l'abri de la lumière,A conserver à -20°C

Expédié en

Glacière + blocs de glace

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504765695

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765695

Sourires canoniques

[CH3-].CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+3]

IUPAC Name

carbanide;cobalt(3+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl]propanoylamino]propan-2-yl phosphate

InChIKey

ZFLASALABLFSNM-WYVZQNDMSA-L

INCHI

1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;-1;+3/p-2/t31?,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1

Isomères SMILES

[CH3-].CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])OC(C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](/C(=C(/C7=N/C(=C\C8=N/C(=C(\C4=N5)/C)/[C@H](C8(C)C)CCC(=O)N)/[C@H]([C@]7(C)CC(=O)N)CCC(=O)N)\C)/[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+3]

WGK Allemagne

2

RTECS

GG3745000

PubChem CID

10898559

Poids moléculaire

1344.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbon derivatives

• Kingdom: Organic compounds
• Superclass: Hydrocarbon derivatives
• Classe: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydrocarbon derivatives
• Alternative Parents: Organic zwitterions Organic cobalt salts Saturated hydrocarbons
• Molecular Framework: Not available
• Substituents: Hydrocarbon derivative - Organic cobalt salt - Organic salt - Organic zwitterion - Saturated hydrocarbon - Hydrocarbon - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydrocarbon derivatives. These are derivatives of hydrocarbons obtained by substituting one or more carbon atoms by an heteroatom. They contain at least one carbon atom and heteroatom.
• 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive.Moisture sensitive
• Poids moléculaire: 1344.400 g/mol
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 26
• Exact Mass: 1343.59 Da
• Monoisotopic Mass: 1343.59 Da
• Topological Polar Surface Area: 452.000 Ų
• Heavy Atom Count: 92
• Formal Charge: 0
• Complexity: 3150.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 13
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 3

XLogP3