Hematobiliverdin
Basic information
- CAS
83504-29-4- Standard SMILES
CC1=C(CCC(=O)O)C(=Cc2[nH]c(C=c3[nH]c(=CC4=NC(=O)C(C(C)O)=C4C)c(C(C)O)c3C)c(C)c2CCC(=O)O)NC1=O- InChIKey
KGPPAFCLGBGMJY-RWJYGTCRSA-N- Molecular formula
- C33H38N4O8
- Average molar mass
- 618.7 g/mol
- Monoisotopic mass
- 618.26896418
Names & identifiers
- Preferred name
- Hematobiliverdin
- IUPAC
- 3-[2-[[3-(2-carboxyethyl)-5-[[4-(1-hydroxyethyl)-5-[[4-(1-hydroxyethyl)-3-methyl-5-oxopyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-5-oxopyrrol-3-yl]propanoic acid
- English name
- hematobiliverdin
- Molecular formula
- C33H38N4O8
- Molecular weight
- 618.67682
Names & synonyms
HematobiliverdinHematobiliverdin ixalpha83504-29-421H-Biline-3,7-dipropanoic acid, 1,19,22,24-tetrahydro-13,18-bis(1-hydroxyethyl)-2,8,112,17-tetramethyl-1,19-dioxo-
Database identifiers
- CAS
83504-29-4- PubChem CID
- 129011005
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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