CDS020708

Methylcobalamin hydrate

• Wzór empiryczny (zapis Hilla): C₆₃H₉₃CoN₁₃O₁₅P
• Masa cząsteczkowa: 1362.40
• Numer MDL: MFCD00149221
• Kod UNSPSC: 12352200
• Identyfikator substancji w PubChem: 329793984

Właściwości

• opis: Aldrich^CPR
• Postać: solid
• ciąg SMILES: C[C@]([C@](CC(N)=O)(C)[C@@H]1CCC(N)=O)(N([Co+]C)/C1=C(C)\C([C@](CC(N)=O)(C)[C@@H]/2CCC(N)=O)=NC2=C/C3=N/C([C@@H](CCC(N)=O)C(C)3C)=C(C)\C4=N5)[C@@]5([H])[C@H](CC(N)=O)[C@@]4(C)CCC(NCC(C)OP(O[C@@H]6[C@@H](CO)O[C@H](N(C=N7)C(C=C8C)=C7C=C8C)[C@@H]6O)([O-])=O)
• InChI: 1S/C62H90N13O14P.CH3.Co.H2O/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;;1H2/q;;+2;/p-2/t31?,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;;/m1.../s1
• Klucz InChI: PKSHCXXSVBLEHQ-INGVNTQCSA-L

Opis

Inne uwagi

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Informacja o środkach bezpieczeństwa

• Kod klasy składowania: 11 - Combustible Solids
• Temperatura zapłonu (°F): Not applicable
• Temperatura zapłonu (°C): Not applicable