Fusarochromanone

CAT: 0127-BUP00650-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP00650-01Size:1 mg

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CAS Number

802915-53-3

Synonyms

FC101, FC-101, NSC-627608, FC 101, NSC 627608

Purity

=95%

Smiles

NC1=C2C(=CC=C1C(C[C@H](CO)N)=O)OC(C)(C)CC2=O

Chemical Information

5-amino-6-[(3R)-3-amino-4-hydroxybutanoyl]-2,2-dimethyl-3H-chromen-4-one

CAS Number	802915-53-3
PubChem CID	363059
IUPAC Name	5-amino-6-[(3R)-3-amino-4-hydroxybutanoyl]-2,2-dimethyl-3H-chromen-4-one
Molecular Formula	C15H20N2O4
Molecular Weight	292.33
XLogP	-0.1
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	424

SMILES

CC1(CC(=O)C2=C(O1)C=CC(=C2N)C(=O)C[C@H](CO)N)C

InChI

InChI=1S/C15H20N2O4/c1-15(2)6-11(20)13-12(21-15)4-3-9(14(13)17)10(19)5-8(16)7-18/h3-4,8,18H,5-7,16-17H2,1-2H3/t8-/m1/s1

InChIKey

COSICWYFCAPPJB-MRVPVSSYSA-N

Chemical Structure

2D Structure

CAS: 802915-53-3

CID: 363059

Formula: C15H20N2O4

MW: 292.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	292.33
XLogP3	-0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	292.14230712
Monoisotopic Mass	292.14230712
Topological Polar Surface Area	116 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	424
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
M33984-01	Fusarochromanone
TRC-F865595-25MG	(R)-Fusarochromanone