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Cobalamin

Cobalamin structure

CAS No:
13408-78-1
Formula:
C62H88CoN13O14P
Chemical Name:
Cobalamin
Synonyms:
Cobinamide,dihydrogen phosphate (ester),inner salt,3′-ester with (5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole-κN3),ion(1+);Cobinamide,hydroxide,ion(1+),dihydrogen phosphate (ester),inner salt,3′-ester with 5,6-dimethyl-1-α-D-ribofuranosylbenzimidazole;Cobinamide,hydroxide,ion(1+),dihydrogen phosphate (ester),inner salt,3′-ester with 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole;Cobinamide,ion(1+),dihydrogen phosphate (ester),inner salt,3′-ester with 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole;Cobalamine;Cobalamin;58846-82-5
Categories:
Organic Chemistry > Phosphines

Description

Cob(II)alamin is a cobalamin in which the central cobalt atom has an oxidation state of +2. It has a role as a human metabolite and a cofactor.

Cobalamin Basic Attributes

Molecular Weight：

1355.37000

Exact Mass：

1354.57000

EC Number：

236-500-2

HScode：

2936260000

Characteristics

PSA：

487.66000

XLogP3：

6.63228

Storage Conditions：

2-8ºC

Drug Information

MeSH Entry Terms：

cob(II)alamin

Cobalamin Use and Manufacturing

Manufacturing Info：

Vitamin B12: ACTIVE

Use Classification：

Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients

Computed Properties

Molecular Weight:1329.3
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:16
Exact Mass:1328.564325
Monoisotopic Mass:1328.564325
Topological Polar Surface Area:452
Heavy Atom Count:91
Formal Charge:-2
Complexity:3150
Defined Atom Stereocenter Count:14
Defined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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