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Basic information
- Standard SMILES
CC1=C2N=C(CC3=NC(C(C)C4=NC(C(CC(N)=O)C4(C)CCC(=O)NCC(C)O)C4(C)N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(N)=O)C3(C)C)C(CCC(N)=O)C2(C)CC(N)=O- InChIKey
SYBWFVYQKOQJDX-UHFFFAOYSA-N- Molecular formula
- C48H75N11O8
- Average molar mass
- 934.2 g/mol
- Monoisotopic mass
- 933.58000839
Names & identifiers
- Preferred name
- 3-[2,13,18-Tris(2-amino-2-oxoethyl)-12,17-bis(3-amino-3-oxopropyl)-3-[3-(2-hydroxypropylamino)-3-oxopropyl]-3,5,8,8,13,15,18,19-octamethyl-1,2,5,6,7,10,12,17-octahydrocorrin-7-yl]propanamide
- IUPAC
- 3-[2,13,18-tris(2-amino-2-oxoethyl)-12,17-bis(3-amino-3-oxopropyl)-3-[3-(2-hydroxypropylamino)-3-oxopropyl]-3,5,8,8,13,15,18,19-octamethyl-1,2,5,6,7,10,12,17-octahydrocorrin-7-yl]propanamide
Database identifiers
- PubChem CID
- 319
Properties
Computed structural propertiesFilling in
- XLogP
- -4
- Topological polar surface area
- 357 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 20
- Heavy atoms
- 67
- Formal charge
- 0
- Complexity
- 2,230
Related reactions
0 records
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Compound notes
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