AF40431

CAT: 0607-BA5629-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA5629-10Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

181125-92-8

Form

A solid

Molecular Formula

C17H21NO5

Molecular Weight

319.35

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

N-[(7-Hydroxy-4-Methyl-2-Oxo-2h-Chromen-8-Yl)methyl]-L-Leucine

CAS Number	181125-92-8
PubChem CID	5391672
IUPAC Name	(2S)-2-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methylamino]-4-methylpentanoic acid
Molecular Formula	C17H21NO5
Molecular Weight	319.4
XLogP	0.4
Topological Polar Surface Area	95.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	23
Formal Charge	0
Complexity	487

SMILES

CC1=CC(=O)OC2=C1C=CC(=C2CN[C@@H](CC(C)C)C(=O)O)O

InChI

InChI=1S/C17H21NO5/c1-9(2)6-13(17(21)22)18-8-12-14(19)5-4-11-10(3)7-15(20)23-16(11)12/h4-5,7,9,13,18-19H,6,8H2,1-3H3,(H,21,22)/t13-/m0/s1

InChIKey

YPJLUCAXHFPZJD-ZDUSSCGKSA-N

Chemical Structure

2D Structure

CAS: 181125-92-8

CID: 5391672

Formula: C17H21NO5

MW: 319.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	319.4
XLogP3	0.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	319.14197277
Monoisotopic Mass	319.14197277
Topological Polar Surface Area	95.9 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	487
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
T13530-01	AF40431