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  • Cobinamide,co-(cyano-kc)-,dihydrogen phosphate(ester),inner salt,3'-ester with(5,6-Dichloro-1-a-d-ribofuranosyl-1H-benzimidazole-kn3)

Cobinamide,co-(cyano-kc)-,dihydrogen phosphate(ester),inner salt,3'-ester with(5,6-Dichloro-1-a-d-ribofuranosyl-1H-benzimidazole-kn3)

CAS
60607-61-6
Catalog Number
ACM60607616
Category
Other Products
Molecular Weight
1397.2101
Molecular Formula
C61H82Cl2CoN14O14P

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Specification

Synonyms
NSC514683, NSC-514683, 60607-61-6, Cobinamide, dihydrogen phosphate (ester), inner salt, 3-ester with 5,6-dichloro-1-.alpha.-D-ribofuranosyl-1H-benzimidazole
IUPAC Name
cobalt(2+);[5-(5,6-dichlorobenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-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-21-id-3-yl]propanoylam
Canonical SMILES
CC1=C2C(C(C([N-]2)C3(C(C(C(=N3)C(=C4C(C(C(=N4)C=C5C(C(C1=N5)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCC(C)OP(=O)(O)OC6C(OC(C6O)N7C=NC8=CC(=C(C=C87)Cl)Cl)CO.[C-]#N.[Co+2]
InChI Key
QOXROFSESWNTAI-UHFFFAOYSA-M
Density
g/cm³
Exact Mass
1395.47000
H-Bond Acceptor
21
H-Bond Donor
10
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