Agistatine D

CAT: 0024-sc-202919ASize: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-202919ASize:5 mg

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CAS Number

144096-47-9

Chemical Information

Agistatin D

Agistatin D is a pyranone.

CAS Number	144096-47-9
PubChem CID	51340315
IUPAC Name	(4aS,5R,6R)-6-ethyl-4a,5-dihydroxy-6,7-dihydro-5H-chromen-4-one
Molecular Formula	C11H14O4
Molecular Weight	210.23
XLogP	0.2
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	344

SMILES

CC[C@@H]1CC=C2[C@@]([C@@H]1O)(C(=O)C=CO2)O

InChI

InChI=1S/C11H14O4/c1-2-7-3-4-9-11(14,10(7)13)8(12)5-6-15-9/h4-7,10,13-14H,2-3H2,1H3/t7-,10-,11-/m1/s1

InChIKey

JNJNTFPIOCKSTA-AVPPRXQKSA-N

Chemical Structure

2D Structure

CAS: 144096-47-9

CID: 51340315

Formula: C11H14O4

MW: 210.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.23
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	210.08920892
Monoisotopic Mass	210.08920892
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	344
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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
sc-202918	Agistatine B
sc-202918A	Agistatine B
sc-271938	Jun D (D-9)
sc-489539	D-Galactose-5-d
sc-377299	Cathepsin D (D-7)
sc-285346	D-Galactopyranosyl-β-D-thiogalactopyranoside
sc-481209	D-Arabinose-1-d
sc-218000	D- (-) -Norgestrel β-D-Glucuronide
sc-491014	D-Fructose-4-d
sc-490515	D-Glucitol-4-d