A-Factor
Basic information
- CAS
51311-41-2- Standard SMILES
CC(C)CCCCC(=O)C1C(=O)OC[C@H]1CO- InChIKey
REAWNMHCBIUKLZ-RWANSRKNSA-N- Molecular formula
- C13H22O4
- Average molar mass
- 242.31 g/mol
- Monoisotopic mass
- 242.15180918
Overview
2-Isocapryloyl-3R-hydroxymethyl-gamma-butyrolactone has been reported in Streptomyces albidoflavus, Streptomyces coelicolor, and other organisms with data available.
Names & identifiers
- Preferred name
- A-Factor
- IUPAC
- (4R)-4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one
- English name
- A-factor (Streptomyces)
- Molecular formula
- C13H22O4
- Molecular weight
- 242.31138
Names & synonyms
A-FactorRefChem:914867CHEBI:79381Co(beta)-cyano-7''-(2-methyl)adeninylcobamidefactor A2-Isocapryloyl-3R-hydroxymethyl-gamma-butyrolactoneA Factor(4R)-4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one51311-41-2A-Factor (lactone)A-Factor (streptomyces)L-Factor (streptomyces)
Show more names
A-Factor【lactone】Streptomyces A-Factor(4R)-Dihydro-3-(6-methylheptanoyl)-4α-(hydroxymethyl)furan-2(3H)-one(4R)-4α-(Hydroxymethyl)-3-(6-methylheptanoyl)-4,5-dihydro-2(3H)-furanone(4R)-4-Hydroxymethyl-3-(6-methyl-1-oxoheptyl)-4,5-dihydrofuran-2(3H)-one
Bis(2-aminoethyl) molybdateSCHEMBL6026457DTXSID009656002S-isocapryloyl-3S-hydroxymethyl-gamma-butyrolactoneQ271443092(3H)-Furanone, dihydro-4-(hydroxymethyl)-3-(6-methyl-1-oxoheptyl)-, (4R)-
Database identifiers
- CAS
51311-41-2- PubChem CID
- 119102
- DTXSID
DTXSID00965600- Nikkaji
- J386.588F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
Chemistry & industry
Additional notes
DefinitionChEBI: A butan-4-olide that is gamma-butyrolactone with an isocapryloyl substituent at position 2 and a hydroxymethyl substituent at position 3 (the 3R-stereoisomer).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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