CAS No.68-19-9 | chem960.com

No.	Brands	Purity	Specification	Stock	Price	Inquiry
FT-0624130-1g	Finetech	99%	1g	In Stock	Negotiate

İsim ve tanımlayıcı

Vitamin B12 5,6-dimethyl-1-(3-o-phosphono-alpha-d-ribofuranosyl)-1h-benzimidazolmonoes 5,6-dimethylbenzimidazolylcobamidecyanide 5,6-dimethylbenzimidazolyl-co-cyanocobamide alpha-5,6-dimethyl-1h-benzimidazolyl-cobamidcyanide anacobin berubigen betalin-12 betalin12crystalline Cyanocobalamin Cyanocobalamin (B12) Cyanocobalamin (Vitamin B12) solution VB12 VITAMIN B12(CYANOCOBALAMIN)(RG) Bedoz CN-13-epiCbl cn-b12 CN-CBL cob(II)alamin cotel covit Cyanocob(III)alaMin cyomin embiol Usp Grade vibalt Vitamin B12, USP grade vitral α-(5,6-Dimethylbenzimidazolyl)cyanocobamide Cyanocobalmin Cyano-5,6-dimethylbenzimidazole-cobalamin CN-Cbl Cyanocob(III)alamin 维生素B12 methylcobalamin 422M554

+ genişleme

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;+2/p-1/t31?,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1
InChIKey：QXOMMGINPOYKPR-WYVZQNDMSA-M
SMILES：[Co+2].P(=O)(O[H])(O[C@]1([H])[C@@]([H])(C([H])([H])O[H])O[C@@]([H])([C@]1([H])O[H])N1C([H])=NC2C([H])=C(C([H])([H])[H])C(C([H])([H])[H])=C([H])C1=2)OC([H])(C([H])([H])[H])C([H])([H])N([H])C(C([H])([H])C([H])([H])[C@@]1(C([H])([H])[H])C2C(C([H])([H])[H])=C3[C@@]([H])(C([H])([H])C([H])([H])C(N([H])[H])=O)C(C([H])([H])[H])(C([H])([H])[H])C(C([H])=C4[C@@]([H])(C([H])([H])C([H])([H])C(N([H])[H])=O)[C@](C([H])([H])[H])(C([H])([H])C(N([H])[H])=O)C(C(C([H])([H])[H])=C5[C@@]([H])(C([H])([H])C([H])([H])C(N([H])[H])=O)[C@](C([H])([H])[H])(C([H])([H])C(N([H])[H])=O)[C@](C([H])([H])[H])([C@@]([H])([C@]1([H])C([H])([H])C(N([H])[H])=O)N=2)[N-]5)=N4)=N3)=O.[C-]([H])([H])[H] |t:73,99,132|
BRN：4122889

Fizikokimyasal özellikler

Hesaplama özellikleri

Molecular Weight: 1355.4g/mol
Formal Charge: 0
Hydrogen Bond Donor Count: 9
Hydrogen Bond Acceptor Count: 21
Rotatable Bond Count: 26
Exact Mass: 1354.567399g/mol
Monoisotopic Mass: 1354.567399g/mol
Topological Polar Surface Area: 476Å²
Heavy Atom Count: 93
Complexity: 3220
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 14
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 3
Undefined Bond Stereocenter Count: 0
Covalently Bonded Unit Count: 3
同位素质量: 1354.567
互变异构体数量: 128
表面电荷: 0

Deneysel özellikler

Odor: Odorless
Stability Shelf Life: HYDRATED CRYSTALS ARE STABLE TO AIR, MAX STABILITY IN PH RANGE 4.5-5
Taste: Tasteless
密度: 0.9450
闪点: 华氏：48.2 °F 摄氏：9 °C
水溶性: 溶解
PSA: 479.70000
LogP: 6.57018
敏感性: Hygroscopic
比旋光度: 23656 -59 ± 9° (dil aq soln)
Merck: 10014
浓度: 1.0 mg/mL in methanol
稳定性: Hygroscopic. Keep cold and dry.
溶解性: 微溶于水和乙醇，不溶于丙酮、氯仿或乙醚