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A-Factor

CAT: 0572-TRC-A000100-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A000100-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60866-47-9
Synonyms
A-Factor
Hazard Statement
No Data Available
Smiles
CC(C)CCCCC(=O)[C@@H]1[C@H](CO)COC1=O
Molecular Formula
C13 H22 O4
Molecular Weight
242.311
InChI
InChI=1S/C13H22O4/c1-9(2)5-3-4-6-11(15)12-10(7-14)8-17-13(12)16/h9-10,12,14H,3-8H2,1-2H3/t10-,12+/m1/s1
Additionnal Information
IUPAC name: (3S,4R)-4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one
Shipping Conditions
Room Temperature

Chemical Information

2(3H)-Furanone, dihydro-4-(hydroxymethyl)-3-(6-methyl-1-oxoheptyl)-, (3S-cis)-
CAS Number60866-47-9
PubChem CID13289604
IUPAC Name(3S,4R)-4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one
Molecular FormulaC13H22O4
Molecular Weight242.31
XLogP2.1
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count17
Formal Charge0
Complexity273
SMILES
CC(C)CCCCC(=O)[C@@H]1[C@@H](COC1=O)CO
InChI
InChI=1S/C13H22O4/c1-9(2)5-3-4-6-11(15)12-10(7-14)8-17-13(12)16/h9-10,12,14H,3-8H2,1-2H3/t10-,12+/m1/s1
InChIKey
REAWNMHCBIUKLZ-PWSUYJOCSA-N
Chemical Structure
2D Structure
2D structure of 2(3H)-Furanone, dihydro-4-(hydroxymethyl)-3-(6-methyl-1-oxoheptyl)-, (3S-cis)-
CAS: 60866-47-9
CID: 13289604
Formula: C13H22O4
MW: 242.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.31
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass242.15180918
Monoisotopic Mass242.15180918
Topological Polar Surface Area63.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity273
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
F0019-06Factor XII (Hageman Factor)
F0016-30-01Factor VIIIc (Antihaemophilic Factor)
Y1004-500A-Factor Mating Pheromone (A-Factor)
HY-118169A-Factor
367460Factor XII (Complement Factor XII, Hageman factor) discontinued
367462Factor XII (Hageman factor, Complement Factor XII) discontinued
F0018-01DFactor X (Coagulation Factor X, F10, Stuart Factor, Stuart-Prower Factor) discontinued
311439Coagulation factor XII (Hageman factor)
MBS6262203-01Factor VIIIc (Antihaemophilic Factor) (HRP)
MBS6261184-01Factor VIIIc (Antihaemophilic Factor) (Biotin)

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