Chemical Properties of Cyanocobalamin (CAS 68-19-9)

InChI

InChI=1S/C62H90N13O14P.CN.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;1-2;/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);;/q;;+2/p-2

InChI Key

RMRCNWBMXRMIRW-UHFFFAOYSA-L

Formula

C63H88CoN14O14P

SMILES

CC1=C2N=C(C=C3N=C(C(C)=C4NC(C)(C5N=C1C(C)(CCC(O)=NCC(C)OP(=O)(O)OC1C(CO)OC([n+]6c[nH]c7cc(C)c(C)cc76)C1O)C5CC(=N)O)C(C)(CC(=N)O)C4CCC(=N)[O-])C(C)(CC(=N)O)C3CCC(=N)[O-])C(C)(C)C2CCC(=N)[O-].[C]#N.[Co]

Molecular Weight¹

1355.37

CAS

68-19-9

Other Names

• vitamin B12

• C_p,solid : Solid phase heat capacity (J/mol×K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[16.34; 587.60]	J/mol×K	[10.04; 94.32]
Cp,solid	16.34	J/mol×K	10.04	Low-tem...
Cp,solid	17.75	J/mol×K	10.42	Low-tem...
Cp,solid	20.67	J/mol×K	11.04	Low-tem...
Cp,solid	23.28	J/mol×K	11.60	Low-tem...
Cp,solid	26.23	J/mol×K	12.21	Low-tem...
Cp,solid	29.45	J/mol×K	12.83	Low-tem...
Cp,solid	32.91	J/mol×K	13.46	Low-tem...
Cp,solid	36.48	J/mol×K	14.11	Low-tem...
Cp,solid	40.46	J/mol×K	14.75	Low-tem...
Cp,solid	44.40	J/mol×K	15.40	Low-tem...
Cp,solid	48.53	J/mol×K	16.07	Low-tem...
Cp,solid	52.68	J/mol×K	16.74	Low-tem...
Cp,solid	56.79	J/mol×K	17.42	Low-tem...
Cp,solid	61.22	J/mol×K	18.11	Low-tem...
Cp,solid	65.76	J/mol×K	18.81	Low-tem...
Cp,solid	70.36	J/mol×K	19.51	Low-tem...
Cp,solid	75.13	J/mol×K	20.22	Low-tem...
Cp,solid	84.87	J/mol×K	21.61	Low-tem...
Cp,solid	99.82	J/mol×K	23.71	Low-tem...
Cp,solid	115.30	J/mol×K	25.87	Low-tem...
Cp,solid	131.90	J/mol×K	28.07	Low-tem...
Cp,solid	149.10	J/mol×K	30.31	Low-tem...
Cp,solid	166.20	J/mol×K	32.58	Low-tem...
Cp,solid	183.40	J/mol×K	34.87	Low-tem...
Cp,solid	201.20	J/mol×K	37.22	Low-tem...
Cp,solid	219.00	J/mol×K	39.58	Low-tem...
Cp,solid	237.30	J/mol×K	41.96	Low-tem...
Cp,solid	255.00	J/mol×K	44.36	Low-tem...
Cp,solid	272.20	J/mol×K	46.78	Low-tem...
Cp,solid	289.00	J/mol×K	49.21	Low-tem...
Cp,solid	306.60	J/mol×K	51.65	Low-tem...
Cp,solid	323.60	J/mol×K	54.11	Low-tem...
Cp,solid	340.40	J/mol×K	56.59	Low-tem...
Cp,solid	357.90	J/mol×K	59.07	Low-tem...
Cp,solid	374.80	J/mol×K	61.56	Low-tem...
Cp,solid	392.40	J/mol×K	64.06	Low-tem...
Cp,solid	410.30	J/mol×K	66.57	Low-tem...
Cp,solid	427.90	J/mol×K	69.08	Low-tem...
Cp,solid	445.20	J/mol×K	71.59	Low-tem...
Cp,solid	461.60	J/mol×K	74.09	Low-tem...
Cp,solid	477.80	J/mol×K	76.59	Low-tem...
Cp,solid	493.20	J/mol×K	79.11	Low-tem...
Cp,solid	508.50	J/mol×K	81.63	Low-tem...
Cp,solid	523.60	J/mol×K	84.15	Low-tem...
Cp,solid	540.30	J/mol×K	86.69	Low-tem...
Cp,solid	556.20	J/mol×K	89.22	Low-tem...
Cp,solid	571.80	J/mol×K	91.77	Low-tem...
Cp,solid	587.60	J/mol×K	94.32	Low-tem...

Similar Compounds

Find more compounds similar to Cyanocobalamin.

Sources

• Low-temperature heat capacity and thermodynamic functions of vitamin B12
• NIST Webbook

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